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1000575-22-3 | Methyl 4-bromo-2-(4-chlorophenylsulfonyl)thiazole-5-carboxylate
CAS No: 1000575-22-3 Catalog No: AG01F5X7 MDL No:
Product Description
Catalog Number:
AG01F5X7
Chemical Name:
Methyl 4-bromo-2-(4-chlorophenylsulfonyl)thiazole-5-carboxylate
CAS Number:
1000575-22-3
Molecular Formula:
C11H7BrClNO4S2
Molecular Weight:
396.6646
IUPAC Name:
methyl 4-bromo-2-(4-chlorophenyl)sulfonyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C11H7BrClNO4S2/c1-18-10(15)8-9(12)14-11(19-8)20(16,17)7-4-2-6(13)3-5-7/h2-5H,1H3
InChI Key:
ODDDYVWYYUWUPU-UHFFFAOYSA-N
SMILES:
COC(=O)c1sc(nc1Br)S(=O)(=O)c1ccc(cc1)Cl
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.869g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.654g/mol
Monoisotopic Mass:
394.869g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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