Home Halogens 5-[(carbamoylmethyl)sulfamoyl]-2-chlorobenzoic acid

5-[(carbamoylmethyl)sulfamoyl]-2-chlorobenzoic acid

CAS No.:
1040335-21-4
Catalog Number:
AG01BV2S
Molecular Formula:
C9H9ClN2O5S
Molecular Weight:
292.6962
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Product Description
Catalog Number:
AG01BV2S
Chemical Name:
5-[(carbamoylmethyl)sulfamoyl]-2-chlorobenzoic acid
CAS Number:
1040335-21-4
Molecular Formula:
C9H9ClN2O5S
Molecular Weight:
292.6962
MDL Number:
MFCD11521947
IUPAC Name:
5-[(2-amino-2-oxoethyl)sulfamoyl]-2-chlorobenzoic acid
InChI:
InChI=1S/C9H9ClN2O5S/c10-7-2-1-5(3-6(7)9(14)15)18(16,17)12-4-8(11)13/h1-3,12H,4H2,(H2,11,13)(H,14,15)
InChI Key:
DDEYCUYWPOWSHR-UHFFFAOYSA-N
SMILES:
NC(=O)CNS(=O)(=O)c1ccc(c(c1)C(=O)O)Cl
Properties
Complexity:
433  
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:
5  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties