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88515-25-7 | Propanoic acid, 2-methyl-, 2-(aminosulfonyl)-5-benzothiazolyl ester
CAS No: 88515-25-7 Catalog No: AG004894 MDL No:
Product Description
Catalog Number:
AG004894
Chemical Name:
Propanoic acid, 2-methyl-, 2-(aminosulfonyl)-5-benzothiazolyl ester
CAS Number:
88515-25-7
Molecular Formula:
C11H12N2O4S2
Molecular Weight:
300.3540
IUPAC Name:
(2-sulfamoyl-1,3-benzothiazol-5-yl) 2-methylpropanoate
InChI:
InChI=1S/C11H12N2O4S2/c1-6(2)10(14)17-7-3-4-9-8(5-7)13-11(18-9)19(12,15)16/h3-6H,1-2H3,(H2,12,15,16)
InChI Key:
VRHNXLMBPYIUAU-UHFFFAOYSA-N
SMILES:
O=C(C(C)C)Oc1ccc2c(c1)nc(s2)S(=O)(=O)N
Properties
Complexity:
446
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:
4
Topological Polar Surface Area:
136A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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