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1039167-75-3 | 2-(3,4-Dichlorobenzoyl)thiazole
CAS No: 1039167-75-3 Catalog No: AG01FESB MDL No:
Product Description
Catalog Number:
AG01FESB
Chemical Name:
2-(3,4-Dichlorobenzoyl)thiazole
CAS Number:
1039167-75-3
Molecular Formula:
C10H5Cl2NOS
Molecular Weight:
258.1238
IUPAC Name:
(3,4-dichlorophenyl)-(1,3-thiazol-2-yl)methanone
InChI:
InChI=1S/C10H5Cl2NOS/c11-7-2-1-6(5-8(7)12)9(14)10-13-3-4-15-10/h1-5H
InChI Key:
ZDVZLSCQWKTALM-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1Cl)C(=O)c1nccs1
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.947g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.116g/mol
Monoisotopic Mass:
256.947g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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