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126029-39-8 | Benzenemethanol, 3-(trifluoromethyl)-, 1-acetate
CAS No: 126029-39-8 Catalog No: AG000QS4 MDL No:
Product Description
Catalog Number:
AG000QS4
Chemical Name:
Benzenemethanol, 3-(trifluoromethyl)-, 1-acetate
CAS Number:
126029-39-8
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
IUPAC Name:
acetic acid;[3-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H7F3O.C2H4O2/c9-8(10,11)7-3-1-2-6(4-7)5-12;1-2(3)4/h1-4,12H,5H2;1H3,(H,3,4)
InChI Key:
BIOJKQCLUBKIOW-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1cccc(c1)C(F)(F)F
Properties
Complexity:
175
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.066g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.19g/mol
Monoisotopic Mass:
236.066g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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