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Home > Nitro Compounds > 99-80-9
99-80-9 | N-METHYL-N,4-DINITROSOANILINE
CAS No: 99-80-9 Catalog No: AG003W1N MDL No:MFCD00045676
Product Description
Catalog Number:
AG003W1N
Chemical Name:
N-METHYL-N,4-DINITROSOANILINE
CAS Number:
99-80-9
Molecular Formula:
C7H7N3O2
Molecular Weight:
165.1494
MDL Number:
MFCD00045676
IUPAC Name:
N-methyl-N-(4-nitrosophenyl)nitrous amide
InChI:
InChI=1S/C7H7N3O2/c1-10(9-12)7-4-2-6(8-11)3-5-7/h2-5H,1H3
InChI Key:
FMGUJLASXUBMOP-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)N(N=O)C
EC Number:
202-788-3
UNII:
B4PP0E8KPO
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.054g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.152g/mol
Monoisotopic Mass:
165.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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