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Home > Fluorides > 230295-16-6
230295-16-6 | Benzenemethanol, 3-fluoro-4-(trifluoromethyl)-
CAS No: 230295-16-6 Catalog No: AG002LXO MDL No:MFCD00236285
Product Description
Catalog Number:
AG002LXO
Chemical Name:
Benzenemethanol, 3-fluoro-4-(trifluoromethyl)-
CAS Number:
230295-16-6
Molecular Formula:
C8H6F4O
Molecular Weight:
194.1263
MDL Number:
MFCD00236285
IUPAC Name:
[3-fluoro-4-(trifluoromethyl)phenyl]methanol
InChI:
InChI=1S/C8H6F4O/c9-7-3-5(4-13)1-2-6(7)8(10,11)12/h1-3,13H,4H2
InChI Key:
MTBRNORZNYPTIU-UHFFFAOYSA-N
SMILES:
OCc1ccc(c(c1)F)C(F)(F)F
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.035g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.129g/mol
Monoisotopic Mass:
194.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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