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88345-39-5 | Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro-
CAS No: 88345-39-5 Catalog No: AG0089II MDL No:
Product Description
Catalog Number:
AG0089II
Chemical Name:
Benzoic acid, 2-amino-4-(aminosulfonyl)-3-chloro-
CAS Number:
88345-39-5
Molecular Formula:
C7H7ClN2O4S
Molecular Weight:
250.6595
IUPAC Name:
2-amino-3-chloro-4-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H7ClN2O4S/c8-5-4(15(10,13)14)2-1-3(6(5)9)7(11)12/h1-2H,9H2,(H,11,12)(H2,10,13,14)
InChI Key:
PXBXUBJHYHIRFZ-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1N)Cl)S(=O)(=O)N
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
250.653g/mol
Monoisotopic Mass:
249.982g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
132A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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