[1,1'-Biphenyl]-3-carbonitrile

HCID 34340
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Basic information

CAS
28804-96-8
Standard SMILES
N#Cc1cccc(-c2ccccc2)c1
InChIKey
SYHJILPZUNKNHQ-UHFFFAOYSA-N
Molecular formula
C13H9N
Average molar mass
179.22 g/mol
Monoisotopic mass
179.07349929

Names & identifiers

Preferred name
[1,1'-Biphenyl]-3-carbonitrile
IUPAC
3-phenylbenzonitrile
English name
Phenyl benzonitrile
Molecular formula
C13H9N
Molecular weight
179.21726

Names & synonyms

3-Cyanobiphenyl24973-50-03-phenylbenzonitrile[1,1'-Biphenyl]-3-carbonitrile28804-96-8MFCD00236364biphenyl-3-carbonitrile5-cyanobiphenylm-Phenyl Benzonitrile3-phenyl-benzonitrile3-CYANODIPHENYLSCHEMBL270874
Show more names
Phenyl benzonitrile
SCHEMBL620686SCHEMBL693857SCHEMBL1202557SCHEMBL6354657SCHEMBL6611797SCHEMBL7526479SCHEMBL16779413SCHEMBL29425207

Database identifiers

CAS
28804-96-8
PubChem CID
34340
DTXSID
DTXSID80951445
Nikkaji
J935.067E

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
23.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
14

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Chemistry & industry

Suppliers3 total

苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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