Cinnamonitrile, 2-chloro-alpha-nitro-

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Basic information

CAS: 100908-77-8
Standard SMILES: N#C/C(=C/c1ccccc1Cl)[N+](=O)[O-]
InChIKey: CEOKNMOSMCOCQE-UHFFFAOYSA-N
Molecular formula: C9H5ClN2O2
Average molar mass: 208.6 g/mol
Monoisotopic mass: 208.0039551

Names & identifiers

Preferred name: Cinnamonitrile, 2-chloro-alpha-nitro-
IUPAC: (Z)-3-(2-chlorophenyl)-2-nitroprop-2-enenitrile
English name: 2-Chloro-alpha-nitrocinnamonitrile
Molecular formula: C9H5ClN2O2
Molecular weight: 208.6

Names & synonyms

100908-77-8CINNAMONITRILE, 2-CHLORO-alpha-NITRO-RefChem:10818772-Chloro-alpha-nitrocinnamonitrile2-Propenenitrile, 3-(2-chlorophenyl)-2-nitro-3-(2-chlorophenyl)-2-nitroprop-2-enenitrile(Z)-3-(2-chlorophenyl)-2-nitroprop-2-enenitrilebeta-(o-Chlorophenyl)-alpha-nitroacrylonitrile

Database identifiers

CAS: 100908-77-8
PubChem CID: 6435657

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 69.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 300

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Compound notes

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