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850375-27-8 | 5-Bromo-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CAS No: 850375-27-8 Catalog No: AG004PUZ MDL No:MFCD04974053
Product Description
Catalog Number:
AG004PUZ
Chemical Name:
5-Bromo-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CAS Number:
850375-27-8
Molecular Formula:
C11H7BrF3NS
Molecular Weight:
322.1442
MDL Number:
MFCD04974053
IUPAC Name:
5-bromo-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
InChI:
InChI=1S/C11H7BrF3NS/c1-6-9(12)17-10(16-6)7-2-4-8(5-3-7)11(13,14)15/h2-5H,1H3
InChI Key:
BZCIYGNYGIKEEC-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1Br)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.943g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.143g/mol
Monoisotopic Mass:
320.943g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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