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99987-05-0 | 4-[(tert-Butylamino);sulfonyl]benzoic Acid
CAS No: 99987-05-0 Catalog No: AG003VTM MDL No:MFCD03001320
Product Description
Catalog Number:
AG003VTM
Chemical Name:
4-[(tert-Butylamino);sulfonyl]benzoic Acid
CAS Number:
99987-05-0
Molecular Formula:
C11H15NO4S
Molecular Weight:
257.3061
MDL Number:
MFCD03001320
IUPAC Name:
4-(tert-butylsulfamoyl)benzoic acid
InChI:
InChI=1S/C11H15NO4S/c1-11(2,3)12-17(15,16)9-6-4-8(5-7-9)10(13)14/h4-7,12H,1-3H3,(H,13,14)
InChI Key:
KLTFWNOBVBGGCG-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)NC(C)(C)C
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.072g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.304g/mol
Monoisotopic Mass:
257.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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