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Home > Fluorides > 1443347-29-2
1443347-29-2 | 1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-butanol
CAS No: 1443347-29-2 Catalog No: AG01EU4G MDL No:
Product Description
Catalog Number:
AG01EU4G
Chemical Name:
1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-butanol
CAS Number:
1443347-29-2
Molecular Formula:
C11H12F4O
Molecular Weight:
236.2060
IUPAC Name:
1-[3-fluoro-5-(trifluoromethyl)phenyl]butan-1-ol
InChI:
InChI=1S/C11H12F4O/c1-2-3-10(16)7-4-8(11(13,14)15)6-9(12)5-7/h4-6,10,16H,2-3H2,1H3
InChI Key:
YLPOAPDCIXWPRL-UHFFFAOYSA-N
SMILES:
CCCC(c1cc(F)cc(c1)C(F)(F)F)O
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.082g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.21g/mol
Monoisotopic Mass:
236.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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