Name: Name:[1,1'-Biphenyl]-2-carbonitrile, 4-methyl-
Brand: Angene
SKU: AG00IBBL
Rating: 90 (10 reviews)

[1,1'-Biphenyl]-2-carbonitrile, 4-methyl-

CAS No.:

64113-85-5

Catalog Number:

AG00IBBL

Molecular Formula:

C14H11N

Molecular Weight:

193.2438

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Product Description

Catalog Number:

AG00IBBL

Chemical Name:

[1,1'-Biphenyl]-2-carbonitrile, 4-methyl-

CAS Number:

64113-85-5

Molecular Formula:

C14H11N

Molecular Weight:

193.2438

MDL Number:

MFCD06411093

IUPAC Name:

5-methyl-2-phenylbenzonitrile

InChI:

InChI=1S/C14H11N/c1-11-7-8-14(13(9-11)10-15)12-5-3-2-4-6-12/h2-9H,1H3

InChI Key:

QMSDNBJQBPHACW-UHFFFAOYSA-N

SMILES:

N#Cc1cc(C)ccc1c1ccccc1

Properties

Complexity:

243

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

193.089g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

193.249g/mol

Monoisotopic Mass:

193.089g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

23.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6

Literature

Title	Journal
Quantum mechanical study of the structure and spectroscopic (FT-IR, FT-Raman, 13C, 1H and UV), ﬁrst order hyperpolarizabilities, NBO and TD-DFT analysis of the 4-methyl-2-cyanobiphenyl.	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110201

Properties