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144397-70-6 | Benzonitrile, 4-(4-pyridinyl)-
CAS No: 144397-70-6 Catalog No: AG001JGD MDL No:MFCD06801940
Product Description
Catalog Number:
AG001JGD
Chemical Name:
Benzonitrile, 4-(4-pyridinyl)-
CAS Number:
144397-70-6
Molecular Formula:
C12H8N2
Molecular Weight:
180.2053
MDL Number:
MFCD06801940
IUPAC Name:
4-pyridin-4-ylbenzonitrile
InChI:
InChI=1S/C12H8N2/c13-9-10-1-3-11(4-2-10)12-5-7-14-8-6-12/h1-8H
InChI Key:
FAEOEJIIPHVFLT-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccncc1
Properties
Complexity:
214
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:
2.3
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