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149505-72-6 | [1,1'-Biphenyl]-4-carbonitrile, 3'-amino-
CAS No: 149505-72-6 Catalog No: AG001LRD MDL No:MFCD04117355
Product Description
Catalog Number:
AG001LRD
Chemical Name:
[1,1'-Biphenyl]-4-carbonitrile, 3'-amino-
CAS Number:
149505-72-6
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
MDL Number:
MFCD04117355
IUPAC Name:
4-(3-aminophenyl)benzonitrile
InChI:
InChI=1S/C13H10N2/c14-9-10-4-6-11(7-5-10)12-2-1-3-13(15)8-12/h1-8H,15H2
InChI Key:
FMVREQADBPVLTH-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccc(c1)N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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