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86394-92-5 | Butanoic acid, 2-(aminosulfonyl)-6-benzothiazolyl ester
CAS No: 86394-92-5 Catalog No: AG004R79 MDL No:
Product Description
Catalog Number:
AG004R79
Chemical Name:
Butanoic acid, 2-(aminosulfonyl)-6-benzothiazolyl ester
CAS Number:
86394-92-5
Molecular Formula:
C11H12N2O4S2
Molecular Weight:
300.3540
IUPAC Name:
(2-sulfamoyl-1,3-benzothiazol-6-yl) butanoate
InChI:
InChI=1S/C11H12N2O4S2/c1-2-3-10(14)17-7-4-5-8-9(6-7)18-11(13-8)19(12,15)16/h4-6H,2-3H2,1H3,(H2,12,15,16)
InChI Key:
CHKNUXNSFDCELX-UHFFFAOYSA-N
SMILES:
CCCC(=O)Oc1ccc2c(c1)sc(n2)S(=O)(=O)N
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.024g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.347g/mol
Monoisotopic Mass:
300.024g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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