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Home > Fluorides > 1340044-53-2
1340044-53-2 | 3-(3-Fluoro-4-methoxyphenyl)-3-pentanol
CAS No: 1340044-53-2 Catalog No: AG01FCBF MDL No:
Product Description
Catalog Number:
AG01FCBF
Chemical Name:
3-(3-Fluoro-4-methoxyphenyl)-3-pentanol
CAS Number:
1340044-53-2
Molecular Formula:
C12H17FO2
Molecular Weight:
212.2606
IUPAC Name:
3-(3-fluoro-4-methoxyphenyl)pentan-3-ol
InChI:
InChI=1S/C12H17FO2/c1-4-12(14,5-2)9-6-7-11(15-3)10(13)8-9/h6-8,14H,4-5H2,1-3H3
InChI Key:
WHKRSCFWYGXIPZ-UHFFFAOYSA-N
SMILES:
CCC(c1ccc(c(c1)F)OC)(CC)O
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.121g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
212.264g/mol
Monoisotopic Mass:
212.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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