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Home > Pyridines > 1378493-16-3
1378493-16-3 | 2-(PYRIDIN-4-YL)BENZONITRILE
CAS No: 1378493-16-3 Catalog No: AG01EJSM MDL No:MFCD11870276
Product Description
Catalog Number:
AG01EJSM
Chemical Name:
2-(PYRIDIN-4-YL)BENZONITRILE
CAS Number:
1378493-16-3
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD11870276
IUPAC Name:
2-pyridin-4-ylbenzonitrile
InChI:
InChI=1S/C12H8N2/c13-9-11-3-1-2-4-12(11)10-5-7-14-8-6-10/h1-8H
InChI Key:
NMNCNJQHCKPAKI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1c1ccncc1
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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