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10177-11-4 | 3-Pyridinecarbonitrile, 5-phenyl-
CAS No: 10177-11-4 Catalog No: AG0005G6 MDL No:MFCD11044310
Product Description
Catalog Number:
AG0005G6
Chemical Name:
3-Pyridinecarbonitrile, 5-phenyl-
CAS Number:
10177-11-4
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD11044310
IUPAC Name:
5-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H8N2/c13-7-10-6-12(9-14-8-10)11-4-2-1-3-5-11/h1-6,8-9H
InChI Key:
CTVJVGOUKSPYST-UHFFFAOYSA-N
SMILES:
N#Cc1cncc(c1)c1ccccc1
NSC Number:
167779
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.069g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.21g/mol
Monoisotopic Mass:
180.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
36.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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