2-Ethyl-[1,1'-biphenyl]-3-carbonitrile

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Basic information

CAS: 82617-41-2
Standard SMILES: CCc1c(C#N)cccc1-c1ccccc1
InChIKey: VJKCUBXOMBIWAK-UHFFFAOYSA-N
Molecular formula: C15H13N
Average molar mass: 207.27 g/mol
Monoisotopic mass: 207.10479942

Names & identifiers

Preferred name: 2-Ethyl-[1,1'-biphenyl]-3-carbonitrile
IUPAC: 2-ethyl-3-phenylbenzonitrile

Names & synonyms

2-ethyl-[1,1'-biphenyl]-3-carbonitrile82617-41-2SCHEMBL6278704DTXSID80603270VJKCUBXOMBIWAK-UHFFFAOYSA-Nethyl-[1,1'-biphenyl]-3-carbonitrile2-Ethyl[1,1'-biphenyl]-3-carbonitrile

Database identifiers

CAS: 82617-41-2
PubChem CID: 20184922
DTXSID: DTXSID80603270

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 23.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 16
Formal charge: 0
Complexity: 256

Related reactions

7 records

New reaction record

HRID 90054As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 485550As productuspto-grants-1985_08

HRID 485551As reactantuspto-grants-1985_08

HRID 1065569As productuspto-grants-1982_05

HRID 1065570As reactantuspto-grants-1982_05

HRID 1995131As productuspto-grants-1983_09

HRID 1995132As reactantuspto-grants-1983_09

Compound notes

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