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88345-14-6 | Benzoic acid, 3-chloro-4-[(dimethylamino)sulfonyl]-2-nitro-
CAS No: 88345-14-6 Catalog No: AG0089IN MDL No:
Product Description
Catalog Number:
AG0089IN
Chemical Name:
Benzoic acid, 3-chloro-4-[(dimethylamino)sulfonyl]-2-nitro-
CAS Number:
88345-14-6
Molecular Formula:
C9H9ClN2O6S
Molecular Weight:
308.6956
IUPAC Name:
3-chloro-4-(dimethylsulfamoyl)-2-nitrobenzoic acid
InChI:
InChI=1S/C9H9ClN2O6S/c1-11(2)19(17,18)6-4-3-5(9(13)14)8(7(6)10)12(15)16/h3-4H,1-2H3,(H,13,14)
InChI Key:
GYHIGNLDNXQWEN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(ccc(c1Cl)S(=O)(=O)N(C)C)C(=O)O
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.987g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
308.689g/mol
Monoisotopic Mass:
307.987g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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