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1000575-58-5 | Methyl 4-bromo-2-(2,4-dichlorophenylsulfonyl)thiazole-5-carboxylate
CAS No: 1000575-58-5 Catalog No: AG01F5B1 MDL No:
Product Description
Catalog Number:
AG01F5B1
Chemical Name:
Methyl 4-bromo-2-(2,4-dichlorophenylsulfonyl)thiazole-5-carboxylate
CAS Number:
1000575-58-5
Molecular Formula:
C11H6BrCl2NO4S2
Molecular Weight:
431.1096
IUPAC Name:
methyl 4-bromo-2-(2,4-dichlorophenyl)sulfonyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C11H6BrCl2NO4S2/c1-19-10(16)8-9(12)15-11(20-8)21(17,18)7-3-2-5(13)4-6(7)14/h2-4H,1H3
InChI Key:
DOEFYPXHUUDDLP-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Br)S(=O)(=O)c1ccc(cc1Cl)Cl
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
428.83g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
431.096g/mol
Monoisotopic Mass:
428.83g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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