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26541-82-2 | 2(3H)-Isothiazolecarboxamide, 4-bromo-N,5-dimethyl-3-oxo-
CAS No: 26541-82-2 Catalog No: AG002TMB MDL No:
Product Description
Catalog Number:
AG002TMB
Chemical Name:
2(3H)-Isothiazolecarboxamide, 4-bromo-N,5-dimethyl-3-oxo-
CAS Number:
26541-82-2
Molecular Formula:
C6H7BrN2O2S
Molecular Weight:
251.1010
IUPAC Name:
4-bromo-N,5-dimethyl-3-oxo-1,2-thiazole-2-carboxamide
InChI:
InChI=1S/C6H7BrN2O2S/c1-3-4(7)5(10)9(12-3)6(11)8-2/h1-2H3,(H,8,11)
InChI Key:
DZTBMORSQXCVFC-UHFFFAOYSA-N
SMILES:
CNC(=O)n1sc(c(c1=O)Br)C
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.941g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.098g/mol
Monoisotopic Mass:
249.941g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
74.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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