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Home > Fluorides > 1339239-72-3
1339239-72-3 | 3-(4-Fluoro-3-methylphenyl)-3-pentanol
CAS No: 1339239-72-3 Catalog No: AG01FCMU MDL No:
Product Description
Catalog Number:
AG01FCMU
Chemical Name:
3-(4-Fluoro-3-methylphenyl)-3-pentanol
CAS Number:
1339239-72-3
Molecular Formula:
C12H17FO
Molecular Weight:
196.2612
IUPAC Name:
3-(4-fluoro-3-methylphenyl)pentan-3-ol
InChI:
InChI=1S/C12H17FO/c1-4-12(14,5-2)10-6-7-11(13)9(3)8-10/h6-8,14H,4-5H2,1-3H3
InChI Key:
JAQJLYFQCJWVSN-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)C)F)(CC)O
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.126g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.265g/mol
Monoisotopic Mass:
196.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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