2-(4-Chlorophenyl)-3-phenylpropanenitrile

HCID 223564
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Basic information

CAS
5681-31-2
Standard SMILES
N#CC(Cc1ccccc1)c1ccc(Cl)cc1
InChIKey
NVMUWWIKRDQQQC-UHFFFAOYSA-N
Molecular formula
C15H12ClN
Average molar mass
241.71 g/mol
Monoisotopic mass
241.06582706

Names & identifiers

Preferred name
2-(4-Chlorophenyl)-3-phenylpropanenitrile
IUPAC
2-(4-chlorophenyl)-3-phenylpropanenitrile

Names & synonyms

2-(4-chlorophenyl)-3-phenylpropanenitrile5681-31-2DTXSID40279112RefChem:252204DTXCID40230268NSC112992-(4-chlorophenyl)-3-phenyl-propanenitrileSCHEMBL50549604-chlorophenylmethylbenzylcyanideNVMUWWIKRDQQQC-UHFFFAOYSA-NNSC-112992-(4-Chloro-phenyl)-3-phenyl-propionitrile

Database identifiers

CAS
5681-31-2
PubChem CID
223564
DTXSID
DTXSID40279112
Nikkaji
J2.179.336A

Properties

Computed structural propertiesFilling in

XLogP
4.2
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
3
Heavy atoms
17

Related reactions

1 records
New reaction record

Compound notes

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