Home Other Building Blocks 2-(PYRIDIN-4-YL)BENZONITRILE

2-(PYRIDIN-4-YL)BENZONITRILE

CAS No.:
1378493-16-3
Catalog Number:
AG01EJSM
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
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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  
Properties