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Home > Fluorides > 886761-81-5
886761-81-5 | Benzeneethanol,2-fluoro-3-(trifluoromethyl)-
CAS No: 886761-81-5 Catalog No: AG0047NW MDL No:MFCD06660360
Product Description
Catalog Number:
AG0047NW
Chemical Name:
Benzeneethanol,2-fluoro-3-(trifluoromethyl)-
CAS Number:
886761-81-5
Molecular Formula:
C9H8F4O
Molecular Weight:
208.1528
MDL Number:
MFCD06660360
IUPAC Name:
2-[2-fluoro-3-(trifluoromethyl)phenyl]ethanol
InChI:
InChI=1S/C9H8F4O/c10-8-6(4-5-14)2-1-3-7(8)9(11,12)13/h1-3,14H,4-5H2
InChI Key:
SFTYBQIPZKIFOA-UHFFFAOYSA-N
SMILES:
OCCc1cccc(c1F)C(F)(F)F
Properties
Complexity:
180
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.156g/mol
Monoisotopic Mass:
208.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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