Basagran MCPA
PubChem CID
23665007
Structure
Molecular Formula
Synonyms
- 59472-65-0
- Basagran MCPA
- Bentazon-MCPA mixt.
- Bentazon - MCPA mixt.
- Chwastox - Basagran mixt.
Molecular Weight
462.9 g/mol
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Component Compounds
Dates
- Create:2008-02-05
- Modify:2025-01-18
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element, mixture or salt
sodium;2-(4-chloro-2-methylphenoxy)acetate;2,2-dioxo-3-propan-2-yl-1H-2λ6,1,3-benzothiadiazin-4-one
Computed by Lexichem TK 2.7.0 (PubChem release 2021.10.14)
InChI=1S/C10H12N2O3S.C9H9ClO3.Na/c1-7(2)12-10(13)8-5-3-4-6-9(8)11-16(12,14)15;1-6-4-7(10)2-3-8(6)13-5-9(11)12;/h3-7,11H,1-2H3;2-4H,5H2,1H3,(H,11,12);/q;;+1/p-1
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
JTXAFVFKDIAJSO-UHFFFAOYSA-M
Computed by InChI 1.0.6 (PubChem release 2021.10.14)
CC1=C(C=CC(=C1)Cl)OCC(=O)[O-].CC(C)N1C(=O)C2=CC=CC=C2NS1(=O)=O.[Na+]
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C19H20ClN2NaO6S
Computed by PubChem 2.2 (PubChem release 2021.10.14)
59472-65-0
- 59472-65-0
- Basagran MCPA
- Bentazon-MCPA mixt.
- Bentazon - MCPA mixt.
- Chwastox - Basagran mixt.
- BAS 43300H
- DTXSID00974878
- Acetic acid, (4-chloro-2-methylphenoxy)-, sodium salt, mixt. with 3-(1-methylethyl)-1H-2,1,3-benzothiadiazin- 4(3H)-one 2,2-dioxide
- Sodium (4-chloro-2-methylphenoxy)acetate--3-(propan-2-yl)-2lambda~6~,1,3-benzothiadiazine-2,2,4(1H,3H)-trione (1/1/1)
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
462.9 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Donor Count
Property Value
1
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Hydrogen Bond Acceptor Count
Property Value
7
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Exact Mass
Property Value
462.0628295 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Monoisotopic Mass
Property Value
462.0628295 Da
Reference
Computed by PubChem 2.2 (PubChem release 2021.10.14)
Property Name
Topological Polar Surface Area
Property Value
124 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Heavy Atom Count
Property Value
30
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
574
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.10.14)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
3
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2021.10.14)
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Mixtures, Components, and Neutralized Forms Count
Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- ChemIDplusBentazon-MCPA mixt.https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=0059472650ChemIDplus Chemical Information Classificationhttps://pubchem.ncbi.nlm.nih.gov/source/ChemIDplus
- EPA DSSToxSodium (4-chloro-2-methylphenoxy)acetate--3-(propan-2-yl)-2lambda~6~,1,3-benzothiadiazine-2,2,4(1H,3H)-trione (1/1/1)https://comptox.epa.gov/dashboard/DTXSID00974878CompTox Chemicals Dashboard Chemical Listshttps://comptox.epa.gov/dashboard/chemical-lists/
- WikidataSodium (4-chloro-2-methylphenoxy)acetate--3-(propan-2-yl)-2lambda~6~,1,3-benzothiadiazine-2,2,4(1H,3H)-trione (1/1/1)https://www.wikidata.org/wiki/Q82959338
- PubChem
- EPA Substance Registry ServicesEPA SRS List Classificationhttps://sor.epa.gov/sor_internet/registry/substreg/LandingPage.do
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