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67589-15-5 | 1-(2-Hydroxy-5-(trifluoromethyl)phenyl)ethanone
CAS No: 67589-15-5 Catalog No: AG0038HI MDL No:MFCD11840324
Product Description
Catalog Number:
AG0038HI
Chemical Name:
1-(2-Hydroxy-5-(trifluoromethyl)phenyl)ethanone
CAS Number:
67589-15-5
Molecular Formula:
C9H7F3O2
Molecular Weight:
204.1459
MDL Number:
MFCD11840324
IUPAC Name:
1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethanone
InChI:
InChI=1S/C9H7F3O2/c1-5(13)7-4-6(9(10,11)12)2-3-8(7)14/h2-4,14H,1H3
InChI Key:
BRSHLOIZDJDEPI-UHFFFAOYSA-N
SMILES:
CC(=O)c1cc(ccc1O)C(F)(F)F
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.04g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.148g/mol
Monoisotopic Mass:
204.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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