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88345-42-0 | Benzoic acid, 4-[(acetylamino)sulfonyl]-2-amino-3-chloro-
CAS No: 88345-42-0 Catalog No: AG0089IH MDL No:
Product Description
Catalog Number:
AG0089IH
Chemical Name:
Benzoic acid, 4-[(acetylamino)sulfonyl]-2-amino-3-chloro-
CAS Number:
88345-42-0
Molecular Formula:
C9H9ClN2O5S
Molecular Weight:
292.6962
IUPAC Name:
4-(acetylsulfamoyl)-2-amino-3-chlorobenzoic acid
InChI:
InChI=1S/C9H9ClN2O5S/c1-4(13)12-18(16,17)6-3-2-5(9(14)15)8(11)7(6)10/h2-3H,11H2,1H3,(H,12,13)(H,14,15)
InChI Key:
TWVANMBTZOHZMC-UHFFFAOYSA-N
SMILES:
CC(=O)NS(=O)(=O)c1ccc(c(c1Cl)N)C(=O)O
Properties
Complexity:
446
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.992g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
292.69g/mol
Monoisotopic Mass:
291.992g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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