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13069-57-3 | Benzoic acid, 4-[[bis(1-methylethyl)amino]sulfonyl]-
CAS No: 13069-57-3 Catalog No: AG000UTN MDL No:
Product Description
Catalog Number:
AG000UTN
Chemical Name:
Benzoic acid, 4-[[bis(1-methylethyl)amino]sulfonyl]-
CAS Number:
13069-57-3
Molecular Formula:
C13H19NO4S
Molecular Weight:
285.3593
IUPAC Name:
4-[di(propan-2-yl)sulfamoyl]benzoic acid
InChI:
InChI=1S/C13H19NO4S/c1-9(2)14(10(3)4)19(17,18)12-7-5-11(6-8-12)13(15)16/h5-10H,1-4H3,(H,15,16)
InChI Key:
WGQNAZHLGDWUJT-UHFFFAOYSA-N
SMILES:
CC(N(S(=O)(=O)c1ccc(cc1)C(=O)O)C(C)C)C
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.103g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.358g/mol
Monoisotopic Mass:
285.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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