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148215-11-6 | 1,2-Ethanediol, 1-[2-(trifluoromethyl)phenyl]-, (1R)-
CAS No: 148215-11-6 Catalog No: AG001FIP MDL No:
Product Description
Catalog Number:
AG001FIP
Chemical Name:
1,2-Ethanediol, 1-[2-(trifluoromethyl)phenyl]-, (1R)-
CAS Number:
148215-11-6
Molecular Formula:
C9H9F3O2
Molecular Weight:
206.1618
IUPAC Name:
(1R)-1-[2-(trifluoromethyl)phenyl]ethane-1,2-diol
InChI:
InChI=1S/C9H9F3O2/c10-9(11,12)7-4-2-1-3-6(7)8(14)5-13/h1-4,8,13-14H,5H2/t8-/m0/s1
InChI Key:
JZWASTSARIZCDF-QMMMGPOBSA-N
SMILES:
OC[C@@H](c1ccccc1C(F)(F)F)O
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
206.055g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
206.164g/mol
Monoisotopic Mass:
206.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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