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88345-30-6 | Benzenesulfonamide, 4-amino-2-chloro-3-nitro-
CAS No: 88345-30-6 Catalog No: AG0046FV MDL No:
Product Description
Catalog Number:
AG0046FV
Chemical Name:
Benzenesulfonamide, 4-amino-2-chloro-3-nitro-
CAS Number:
88345-30-6
Molecular Formula:
C6H6ClN3O4S
Molecular Weight:
251.6475
IUPAC Name:
4-amino-2-chloro-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C6H6ClN3O4S/c7-5-4(15(9,13)14)2-1-3(8)6(5)10(11)12/h1-2H,8H2,(H2,9,13,14)
InChI Key:
YWKOQHZADUILAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(N)ccc(c1Cl)S(=O)(=O)N
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.977g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.641g/mol
Monoisotopic Mass:
250.977g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
140A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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