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Home > Nitro Compounds > 645-55-6
645-55-6 | N-nitroaniline
CAS No: 645-55-6 Catalog No: AG00F336 MDL No:
Product Description
Catalog Number:
AG00F336
Chemical Name:
N-nitroaniline
CAS Number:
645-55-6
IUPAC Name:
N-phenylnitramide
InChI:
InChI=1S/C6H6N2O2/c9-8(10)7-6-4-2-1-3-5-6/h1-5,7H
InChI Key:
VBEGHXKAFSLLGE-UHFFFAOYSA-N
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
138.043g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
138.126g/mol
Monoisotopic Mass:
138.043g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
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