(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile

C9H4Cl2N2O2 — CID 43155408

IUPAC(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H4Cl2N2O2/c10-6-1-2-7(8(11)3-4-12)9(5-6)13(14)15/h1-3,5H/b8-3-
InChIKeyOAECSNUBUVCJJM-BAQGIRSFSA-N
MW243.05 g/mol
LogP3.35
Rot. Bonds2

About (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile

(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile (PubChem CID 43155408) has the molecular formula C9H4Cl2N2O2 and a molecular weight of 243.05 g/mol. Its IUPAC name is (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile
PubChem CID43155408
Molecular FormulaC9H4Cl2N2O2
Molecular Weight243.05 g/mol
Exact Mass241.96
IUPAC Name(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1ccc(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C9H4Cl2N2O2/c10-6-1-2-7(8(11)3-4-12)9(5-6)13(14)15/h1-3,5H/b8-3-
InChIKeyOAECSNUBUVCJJM-BAQGIRSFSA-N
XLogP3.35
TPSA66.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.05
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(4-chloro-2-nitrophenyl)methanone
CID 13462792
2-[chloro-(4-chloro-2-nitrophenyl)methylidene]pentanenitrile
CID 79405635
(Z)-3-chloro-3-(2,5-difluoro-3-nitrophenyl)prop-2-enenitrile
CID 107122535
1-cyanoethyl 4-chloro-2-nitrobenzoate
CID 16796803
4-chloro-2-nitro-N-propan-2-ylbenzamide
CID 789174
2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4-methyl-3-oxopentanenitrile
CID 67899641
(Z)-2-(4-chloro-2-nitrobenzoyl)-3-hydroxy-3-phenylprop-2-enenitrile
CID 21286087
CID 58697900
CID 58697900
4,4-dichloro-2-(4-chloro-2-nitrobenzoyl)-3-oxopentanenitrile
CID 54546740
4-chloro-N-(5-chloro-2-hydroxyphenyl)-2-nitrobenzamide
CID 3863304
2-[(4-chloro-2-nitrophenyl)-hydroxymethylidene]-4,4-difluoro-3-oxopentanenitrile
CID 67899758
4-chloro-N-(2-cyanopropyl)-N-methyl-2-nitrobenzamide
CID 47286169

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile (CID 43155408) is (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile is N#C/C=C(\Cl)c1ccc(Cl)cc1[N+](=O)[O-].
What is the InChIKey of (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile?
The InChIKey is OAECSNUBUVCJJM-BAQGIRSFSA-N. The full InChI is InChI=1S/C9H4Cl2N2O2/c10-6-1-2-7(8(11)3-4-12)9(5-6)13(14)15/h1-3,5H/b8-3-.
What are the key properties of (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile?
(Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile has a molecular weight of 243.05 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(4-chloro-2-nitrophenyl)prop-2-enenitrile is sourced from PubChem (CID 43155408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).