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Home > Fluorides > 923033-01-6
923033-01-6 | 1-(3,4,5-Trifluorophenyl)ethanol
CAS No: 923033-01-6 Catalog No: AG01EZAE MDL No:
Product Description
Catalog Number:
AG01EZAE
Chemical Name:
1-(3,4,5-Trifluorophenyl)ethanol
CAS Number:
923033-01-6
Molecular Formula:
C8H7F3O
Molecular Weight:
176.1358
IUPAC Name:
1-(3,4,5-trifluorophenyl)ethanol
InChI:
InChI=1S/C8H7F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-4,12H,1H3
InChI Key:
NAYLCQZIPKCMBT-UHFFFAOYSA-N
SMILES:
CC(c1cc(F)c(c(c1)F)F)O
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.045g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.138g/mol
Monoisotopic Mass:
176.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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