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88345-41-9 | Benzoic acid, 2-amino-3-chloro-4-[(dimethylamino)sulfonyl]-
CAS No: 88345-41-9 Catalog No: AG0047Q9 MDL No:
Product Description
Catalog Number:
AG0047Q9
Chemical Name:
Benzoic acid, 2-amino-3-chloro-4-[(dimethylamino)sulfonyl]-
CAS Number:
88345-41-9
Molecular Formula:
C9H11ClN2O4S
Molecular Weight:
278.7126
IUPAC Name:
2-amino-3-chloro-4-(dimethylsulfamoyl)benzoic acid
InChI:
InChI=1S/C9H11ClN2O4S/c1-12(2)17(15,16)6-4-3-5(9(13)14)8(11)7(6)10/h3-4H,11H2,1-2H3,(H,13,14)
InChI Key:
VYTRDCOCZFGVHF-UHFFFAOYSA-N
SMILES:
Clc1c(N)c(ccc1S(=O)(=O)N(C)C)C(=O)O
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.013g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.707g/mol
Monoisotopic Mass:
278.013g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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