(Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile

C9H4Cl3N — CID 43155466

IUPAC(Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H4Cl3N/c10-7(4-5-13)6-2-1-3-8(11)9(6)12/h1-4H/b7-4-
InChIKeyBAXWXSOAONNNBL-DAXSKMNVSA-N
MW232.50 g/mol
LogP4.10
Rot. Bonds1

About (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile

(Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile (PubChem CID 43155466) has the molecular formula C9H4Cl3N and a molecular weight of 232.50 g/mol. Its IUPAC name is (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile
PubChem CID43155466
Molecular FormulaC9H4Cl3N
Molecular Weight232.50 g/mol
Exact Mass230.94
IUPAC Name(Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1cccc(Cl)c1Cl
InChIInChI=1S/C9H4Cl3N/c10-7(4-5-13)6-2-1-3-8(11)9(6)12/h1-4H/b7-4-
InChIKeyBAXWXSOAONNNBL-DAXSKMNVSA-N
XLogP4.10
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.50
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

3,3-bis(2-chlorophenyl)prop-2-enenitrile
CID 166114490
3-(2-chlorophenyl)but-2-enenitrile
CID 76913812
3-chloro-3-(2-methoxyphenyl)prop-2-enenitrile
CID 74864079
3-chloro-3-(2-methylsulfanylphenyl)prop-2-enenitrile
CID 79217951
2,3-dichlorobenzenecarboselenoyl chloride
CID 150296401
(E)-3-(2,6-dichlorophenyl)but-2-enenitrile
CID 166114555
(Z)-3-chloro-3-(2,6-difluorophenyl)prop-2-enenitrile
CID 43155462
(Z)-3-chloro-3-(2,6-dimethoxyphenyl)prop-2-enenitrile
CID 43155465
(E)-3-chloro-3-(2,4-dibromophenyl)prop-2-enenitrile
CID 107954598
(Z)-3-chloro-3-(2,5-difluorophenyl)prop-2-enenitrile
CID 43155445
2,3-dichloro-N-sulfanylbenzamide
CID 71773851
(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile
CID 82879399

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile (CID 43155466) is (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile is N#C/C=C(\Cl)c1cccc(Cl)c1Cl.
What is the InChIKey of (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile?
The InChIKey is BAXWXSOAONNNBL-DAXSKMNVSA-N. The full InChI is InChI=1S/C9H4Cl3N/c10-7(4-5-13)6-2-1-3-8(11)9(6)12/h1-4H/b7-4-.
What are the key properties of (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile?
(Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile has a molecular weight of 232.50 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(2,3-dichlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 43155466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).