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88413-07-4 | Methanesulfonamide, N-[3-(methylamino)-4-nitrophenyl]-
CAS No: 88413-07-4 Catalog No: AG004HZD MDL No:
Product Description
Catalog Number:
AG004HZD
Chemical Name:
Methanesulfonamide, N-[3-(methylamino)-4-nitrophenyl]-
CAS Number:
88413-07-4
Molecular Formula:
C8H11N3O4S
Molecular Weight:
245.2556
IUPAC Name:
N-[3-(methylamino)-4-nitrophenyl]methanesulfonamide
InChI:
InChI=1S/C8H11N3O4S/c1-9-7-5-6(10-16(2,14)15)3-4-8(7)11(12)13/h3-5,9-10H,1-2H3
InChI Key:
ORGQHMQVTBONSU-UHFFFAOYSA-N
SMILES:
CNc1cc(ccc1[N+](=O)[O-])NS(=O)(=O)C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.047g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
245.253g/mol
Monoisotopic Mass:
245.047g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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