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1000534-02-0 | 3,5-Dimethyl-4-fluorophenethyl alcohol
CAS No: 1000534-02-0 Catalog No: AG01FCHU MDL No:
Product Description
Catalog Number:
AG01FCHU
Chemical Name:
3,5-Dimethyl-4-fluorophenethyl alcohol
CAS Number:
1000534-02-0
Molecular Formula:
C10H13FO
Molecular Weight:
168.2080
IUPAC Name:
2-(4-fluoro-3,5-dimethylphenyl)ethanol
InChI:
InChI=1S/C10H13FO/c1-7-5-9(3-4-12)6-8(2)10(7)11/h5-6,12H,3-4H2,1-2H3
InChI Key:
JZKCKWIKKVCJLT-UHFFFAOYSA-N
SMILES:
OCCc1cc(C)c(c(c1)C)F
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.095g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
168.211g/mol
Monoisotopic Mass:
168.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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