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873066-26-3 | 5-Thiazolemethanol, 4-bromo-2-[4-(trifluoromethyl)phenyl]-
CAS No: 873066-26-3 Catalog No: AG004HP6 MDL No:
Product Description
Catalog Number:
AG004HP6
Chemical Name:
5-Thiazolemethanol, 4-bromo-2-[4-(trifluoromethyl)phenyl]-
CAS Number:
873066-26-3
Molecular Formula:
C11H7BrF3NOS
Molecular Weight:
338.1436
IUPAC Name:
[4-bromo-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
InChI:
InChI=1S/C11H7BrF3NOS/c12-9-8(5-17)18-10(16-9)6-1-3-7(4-2-6)11(13,14)15/h1-4,17H,5H2
InChI Key:
AIMDBBUWIRTQPW-UHFFFAOYSA-N
SMILES:
OCc1sc(nc1Br)c1ccc(cc1)C(F)(F)F
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.938g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
338.142g/mol
Monoisotopic Mass:
336.938g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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