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1000576-62-4 | 4-Bromo-2-(4-chlorophenylsulfonyl)thiazole-5-carboxylic acid dimethylamide
CAS No: 1000576-62-4 Catalog No: AG01F4G2 MDL No:
Product Description
Catalog Number:
AG01F4G2
Chemical Name:
4-Bromo-2-(4-chlorophenylsulfonyl)thiazole-5-carboxylic acid dimethylamide
CAS Number:
1000576-62-4
Molecular Formula:
C12H10BrClN2O3S2
Molecular Weight:
409.7064
IUPAC Name:
4-bromo-2-(4-chlorophenyl)sulfonyl-N,N-dimethyl-1,3-thiazole-5-carboxamide
InChI:
InChI=1S/C12H10BrClN2O3S2/c1-16(2)11(17)9-10(13)15-12(20-9)21(18,19)8-5-3-7(14)4-6-8/h3-6H,1-2H3
InChI Key:
QZCXOCXIPIKRLP-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)S(=O)(=O)c1nc(c(s1)C(=O)N(C)C)Br
Properties
Complexity:
489
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.9g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
409.697g/mol
Monoisotopic Mass:
407.9g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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