Name: Name:[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-
Brand: Angene
SKU: AG00I9FE
Rating: 90 (10 reviews)

[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-

CAS No.:

52709-87-2

Catalog Number:

AG00I9FE

Molecular Formula:

C17H17NO

Molecular Weight:

251.3230

Catalog Number:

AG00I9FE

Chemical Name:

[1,1'-Biphenyl]-4-carbonitrile, 4'-butoxy-

CAS Number:

52709-87-2

Molecular Formula:

C17H17NO

Molecular Weight:

251.3230

MDL Number:

MFCD00183755

IUPAC Name:

4-(4-butoxyphenyl)benzonitrile

InChI:

InChI=1S/C17H17NO/c1-2-3-12-19-17-10-8-16(9-11-17)15-6-4-14(13-18)5-7-15/h4-11H,2-3,12H2,1H3

InChI Key:

KPQVQWUNELODQE-UHFFFAOYSA-N

SMILES:

CCCCOc1ccc(cc1)c1ccc(cc1)C#N

EC Number:

258-123-2

Complexity:

290

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

251.131g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

251.329g/mol

Monoisotopic Mass:

251.131g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

33A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.5