2-(2,3-Dichloroinden-1-ylidene)propanedinitrile
PubChem CID
684963
Structure
Molecular Formula
Synonyms
- 220898-80-6
- 2-(2,3-DICHLORO-1H-INDEN-1-YLIDENE)MALONONITRILE
- 2-(2,3-dichloroinden-1-ylidene)propanedinitrile
- CDS1_004344
- CBMicro_023928
Molecular Weight
247.08 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2005-07-07
- Modify:2024-12-14
Chemical Structure Depiction
2-(2,3-dichloroinden-1-ylidene)propanedinitrile
Computed by Lexichem TK 2.7.0 (PubChem release 2021.05.07)
InChI=1S/C12H4Cl2N2/c13-11-9-4-2-1-3-8(9)10(12(11)14)7(5-15)6-16/h1-4H
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
OUWNKQWLOLTVLU-UHFFFAOYSA-N
Computed by InChI 1.0.6 (PubChem release 2021.05.07)
C1=CC=C2C(=C1)C(=C(C2=C(C#N)C#N)Cl)Cl
Computed by OEChem 2.3.0 (PubChem release 2021.05.07)
C12H4Cl2N2
Computed by PubChem 2.1 (PubChem release 2021.05.07)
220898-80-6
- 220898-80-6
- 2-(2,3-DICHLORO-1H-INDEN-1-YLIDENE)MALONONITRILE
- 2-(2,3-dichloroinden-1-ylidene)propanedinitrile
- CDS1_004344
- CBMicro_023928
- MixCom6_000952
- DivK1c_005384
- Propanedinitrile, (2,3-dichloro-1H-inden-1-ylidene)-
- DTXSID60350639
- OUWNKQWLOLTVLU-UHFFFAOYSA-N
- CCG-10964
- MFCD01239986
- STK757250
- AKOS001708482
- BIM-0023830.P001
- AG-205/11846108
- (2,3-dichloro-1H-inden-1-ylidene)propanedinitrile
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
247.08 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
XLogP3-AA
Property Value
2.8
Reference
Computed by XLogP3 3.0 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Acceptor Count
Property Value
2
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Rotatable Bond Count
Property Value
0
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Exact Mass
Property Value
245.9751535 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
245.9751535 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
47.6Ų
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
466
Reference
Computed by Cactvs 3.4.8.18 (PubChem release 2021.05.07)
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 2011.04.04)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- EPA DSSToxPropanedinitrile, (2,3-dichloro-1H-inden-1-ylidene)-https://comptox.epa.gov/dashboard/DTXSID60350639
- Japan Chemical Substance Dictionary (Nikkaji)
- NIST Mass Spectrometry Data CenterLICENSEData covered by the Standard Reference Data Act of 1968 as amended.https://www.nist.gov/srd/public-law2-(2,3-Dichloroinden-1-ylidene)propanedinitrilehttp://www.nist.gov/srd/nist1a.cfm
- SpectraBase2-(2,3-dichloro-1-indenylidene)propanedinitrilehttps://spectrabase.com/spectrum/KWorGOKnosA
- WikidataPropanedinitrile, (2,3-dichloro-1H-inden-1-ylidene)-https://www.wikidata.org/wiki/Q82126683
- PubChem
CONTENTS