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845885-81-6 | Ethanone,2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-
CAS No: 845885-81-6 Catalog No: AG004QZM MDL No:MFCD05664414
Product Description
Catalog Number:
AG004QZM
Chemical Name:
Ethanone,2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]-
CAS Number:
845885-81-6
Molecular Formula:
C13H9BrF3NOS
Molecular Weight:
364.1809
MDL Number:
MFCD05664414
IUPAC Name:
2-bromo-1-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethanone
InChI:
InChI=1S/C13H9BrF3NOS/c1-7-11(10(19)6-14)20-12(18-7)8-2-4-9(5-3-8)13(15,16)17/h2-5H,6H2,1H3
InChI Key:
XGHUMHHAMHEPCS-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1sc(nc1C)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.954g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
364.18g/mol
Monoisotopic Mass:
362.954g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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