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Home > Fluorides > 1603436-12-9
1603436-12-9 | 1-(3-Fluoro-6-methylphenyl)-2-butanol
CAS No: 1603436-12-9 Catalog No: AG01EUA1 MDL No:
Product Description
Catalog Number:
AG01EUA1
Chemical Name:
1-(3-Fluoro-6-methylphenyl)-2-butanol
CAS Number:
1603436-12-9
Molecular Formula:
C11H15FO
Molecular Weight:
182.2346
IUPAC Name:
1-(5-fluoro-2-methylphenyl)butan-2-ol
InChI:
InChI=1S/C11H15FO/c1-3-11(13)7-9-6-10(12)5-4-8(9)2/h4-6,11,13H,3,7H2,1-2H3
InChI Key:
VXZICJMKRUDGJJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1CC(CC)O)F
Properties
Complexity:
149
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.111g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
182.238g/mol
Monoisotopic Mass:
182.111g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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