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4793-24-2 | 2-Chloro-4-fluoro-5-sulfamoylbenzoic acid
CAS No: 4793-24-2 Catalog No: AG003GX2 MDL No:MFCD01321357
Product Description
Catalog Number:
AG003GX2
Chemical Name:
2-Chloro-4-fluoro-5-sulfamoylbenzoic acid
CAS Number:
4793-24-2
Molecular Formula:
C7H5ClFNO4S
Molecular Weight:
253.6353
MDL Number:
MFCD01321357
IUPAC Name:
2-chloro-4-fluoro-5-sulfamoylbenzoic acid
InChI:
InChI=1S/C7H5ClFNO4S/c8-4-2-5(9)6(15(10,13)14)1-3(4)7(11)12/h1-2H,(H,11,12)(H2,10,13,14)
InChI Key:
DDGOQDDPEWYVRD-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(c(cc1Cl)F)S(=O)(=O)N
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.961g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.628g/mol
Monoisotopic Mass:
252.961g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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