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Home > Nitro Compounds > 192699-67-5
192699-67-5 | [1,1'-Biphenyl]-3-carbonitrile, 3'-nitro-
CAS No: 192699-67-5 Catalog No: AG002G7E MDL No:MFCD06803024
Product Description
Catalog Number:
AG002G7E
Chemical Name:
[1,1'-Biphenyl]-3-carbonitrile, 3'-nitro-
CAS Number:
192699-67-5
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD06803024
IUPAC Name:
3-(3-nitrophenyl)benzonitrile
InChI:
InChI=1S/C13H8N2O2/c14-9-10-3-1-4-11(7-10)12-5-2-6-13(8-12)15(16)17/h1-8H
InChI Key:
RDDKZUGQFOXIED-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
328
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.059g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.219g/mol
Monoisotopic Mass:
224.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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