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1000573-95-4 | Phenyl 4-bromo-2-(4-methylphenylsulfonyl)thiazole-5-carboxylate
CAS No: 1000573-95-4 Catalog No: AG01F5X5 MDL No:
Product Description
Catalog Number:
AG01F5X5
Chemical Name:
Phenyl 4-bromo-2-(4-methylphenylsulfonyl)thiazole-5-carboxylate
CAS Number:
1000573-95-4
Molecular Formula:
C17H12BrNO4S2
Molecular Weight:
438.3155
IUPAC Name:
phenyl 4-bromo-2-(4-methylphenyl)sulfonyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C17H12BrNO4S2/c1-11-7-9-13(10-8-11)25(21,22)17-19-15(18)14(24-17)16(20)23-12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
DMLXNLISPLZBMJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1nc(c(s1)C(=O)Oc1ccccc1)Br
Properties
Complexity:
566
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.939g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
438.31g/mol
Monoisotopic Mass:
436.939g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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