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Home > Fluorides > 1443340-14-4
1443340-14-4 | 3-(3,4-Difluoro-5-methoxyphenyl)-3-pentanol
CAS No: 1443340-14-4 Catalog No: AG01FB0N MDL No:
Product Description
Catalog Number:
AG01FB0N
Chemical Name:
3-(3,4-Difluoro-5-methoxyphenyl)-3-pentanol
CAS Number:
1443340-14-4
Molecular Formula:
C12H16F2O2
Molecular Weight:
230.2510
IUPAC Name:
3-(3,4-difluoro-5-methoxyphenyl)pentan-3-ol
InChI:
InChI=1S/C12H16F2O2/c1-4-12(15,5-2)8-6-9(13)11(14)10(7-8)16-3/h6-7,15H,4-5H2,1-3H3
InChI Key:
XTCWPLCUTXAOOB-UHFFFAOYSA-N
SMILES:
CCC(c1cc(OC)c(c(c1)F)F)(CC)O
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.112g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.255g/mol
Monoisotopic Mass:
230.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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