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Home > Nitro Compounds > 31125-07-2
31125-07-2 | Benzonitrile, 4-nitroso-
CAS No: 31125-07-2 Catalog No: AG00326Q MDL No:
Product Description
Catalog Number:
AG00326Q
Chemical Name:
Benzonitrile, 4-nitroso-
CAS Number:
31125-07-2
Molecular Formula:
C7H4N2O
Molecular Weight:
132.1195
IUPAC Name:
4-nitrosobenzonitrile
InChI:
InChI=1S/C7H4N2O/c8-5-6-1-3-7(9-10)4-2-6/h1-4H
InChI Key:
UBLUNBIUDODHRO-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)C#N
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.032g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.122g/mol
Monoisotopic Mass:
132.032g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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