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294648-03-6 | Benzonitrile, 4-(3-pyridinyl)-
CAS No: 294648-03-6 Catalog No: AG002YG8 MDL No:MFCD04116307
Product Description
Catalog Number:
AG002YG8
Chemical Name:
Benzonitrile, 4-(3-pyridinyl)-
CAS Number:
294648-03-6
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD04116307
IUPAC Name:
4-pyridin-3-ylbenzonitrile
InChI:
InChI=1S/C12H8N2/c13-8-10-3-5-11(6-4-10)12-2-1-7-14-9-12/h1-7,9H
InChI Key:
GJSLIWQSMSAADF-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1cccnc1
Properties
Complexity:
220
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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