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1000574-07-1 | Phenyl 4-bromo-2-(4-chlorophenylthio)thiazole-5-carboxylate
CAS No: 1000574-07-1 Catalog No: AG01F6S8 MDL No:
Product Description
Catalog Number:
AG01F6S8
Chemical Name:
Phenyl 4-bromo-2-(4-chlorophenylthio)thiazole-5-carboxylate
CAS Number:
1000574-07-1
Molecular Formula:
C16H9BrClNO2S2
Molecular Weight:
426.7352
IUPAC Name:
phenyl 4-bromo-2-(4-chlorophenyl)sulfanyl-1,3-thiazole-5-carboxylate
InChI:
InChI=1S/C16H9BrClNO2S2/c17-14-13(15(20)21-11-4-2-1-3-5-11)23-16(19-14)22-12-8-6-10(18)7-9-12/h1-9H
InChI Key:
GYNJUWNCKKYYJR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)Sc1nc(c(s1)C(=O)Oc1ccccc1)Br
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
424.895g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
426.727g/mol
Monoisotopic Mass:
424.895g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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