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Home > Nitro Compounds > 31835-63-9
31835-63-9 | 4'-Nitro-[1,1'-biphenyl]-4-carbonitrile
CAS No: 31835-63-9 Catalog No: AG003L90 MDL No:MFCD00191623
Product Description
Catalog Number:
AG003L90
Chemical Name:
4'-Nitro-[1,1'-biphenyl]-4-carbonitrile
CAS Number:
31835-63-9
Molecular Formula:
C13H8N2O2
Molecular Weight:
224.2148
MDL Number:
MFCD00191623
IUPAC Name:
4-(4-nitrophenyl)benzonitrile
InChI:
InChI=1S/C13H8N2O2/c14-9-10-1-3-11(4-2-10)12-5-7-13(8-6-12)15(16)17/h1-8H
InChI Key:
QHWXJDVNOZETQM-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)c1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
312
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:
3.5
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