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4-Phenylbenzonitrile

Catalog Number
ACM2920389-1
Product Name
4-Phenylbenzonitrile
Structure
CAS
2920-38-9
Category
Liquid Crystal (LC) Materials
IUPAC Name
4-phenylbenzonitrile
Molecular Weight
179.22g/mol
Molecular Formula
C13H9N
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C#N
InChI
InChI=1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H
InChIKey
BPMBNLJJRKCCRT-UHFFFAOYSA-N
EC Number
220-860-2
NSC Number
176013
Status
0
Complexity
211
Formal Charge
0
Exact Mass
179.073499g/mol
Monoisotopic Mass
179.073499g/mol
XLogP3
3.7
Covalently-Bonded Unit Count
1
Heavy Atom Count
14
Rotatable Bond Count
1
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