Methyl 3-(2-bromophenyl)propanoate
PubChem CID
15712815
Structure
Molecular Formula
Synonyms
- METHYL 3-(2-BROMOPHENYL)PROPANOATE
- 66191-86-4
- Methyl 3-(2-bromophenyl)propionate
- MFCD09953149
- DTXSID40577246
Molecular Weight
243.10 g/mol
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Dates
- Create:2007-02-12
- Modify:2025-01-18
Chemical Structure Depiction
methyl 3-(2-bromophenyl)propanoate
Computed by Lexichem TK 2.7.0 (PubChem release 2024.11.20)
InChI=1S/C10H11BrO2/c1-13-10(12)7-6-8-4-2-3-5-9(8)11/h2-5H,6-7H2,1H3
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
NIULOVGPRAJIJM-UHFFFAOYSA-N
Computed by InChI 1.07.0 (PubChem release 2024.11.20)
COC(=O)CCC1=CC=CC=C1Br
Computed by OEChem 2.3.0 (PubChem release 2024.12.12)
C10H11BrO2
Computed by PubChem 2.2 (PubChem release 2024.11.20)
66191-86-4
- METHYL 3-(2-BROMOPHENYL)PROPANOATE
- 66191-86-4
- Methyl 3-(2-bromophenyl)propionate
- MFCD09953149
- DTXSID40577246
- 3-(2-Bromophenyl)propionic Acid Methyl Ester
- Benzenepropanoic acid, 2-bromo-, methyl ester
- SCHEMBL6757
- 3-(2-bromo-phenyl)-propionic acid methyl ester
- O-bromophenolmethyl propionate
- Methyl 2-bromobenzenepropanoate
- DTXCID00528017
- NIULOVGPRAJIJM-UHFFFAOYSA-N
- AB3933
- AKOS015914883
- CS-W010269
- 2-Bromobenzenepropanoic acid methyl ester
- DS-14663
- METHYL3-(2-BROMOPHENYL)PROPANOATE
- SY017608
- M2587
- EN300-6764828
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
243.10 g/mol
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
XLogP3-AA
Property Value
2.7
Reference
Computed by XLogP3 3.0 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Rotatable Bond Count
Property Value
4
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Exact Mass
Property Value
241.99424 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Monoisotopic Mass
Property Value
241.99424 Da
Reference
Computed by PubChem 2.2 (PubChem release 2024.11.20)
Property Name
Topological Polar Surface Area
Property Value
26.3 Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
Property Name
Heavy Atom Count
Property Value
13
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
170
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2024.11.20)
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
1
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)
Patents are available for this chemical structure:
https://patentscope.wipo.int/search/en/result.jsf?inchikey=NIULOVGPRAJIJM-UHFFFAOYSA-N
- EPA DSSToxMethyl 3-(2-bromophenyl)propanoatehttps://comptox.epa.gov/dashboard/DTXSID40577246
- Japan Chemical Substance Dictionary (Nikkaji)
- SpectraBaseMethyl 3-(2-bromophenyl)propionatehttps://spectrabase.com/spectrum/BxvfMmmhJSfMethyl 3-(2-bromophenyl)propionatehttps://spectrabase.com/spectrum/K16mzqeEz6M
- WikidataMethyl 3-(2-bromophenyl)propionatehttps://www.wikidata.org/wiki/Q72488801
- PubChem
- PATENTSCOPE (WIPO)SID 388639867https://pubchem.ncbi.nlm.nih.gov/substance/388639867
CONTENTS