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Home > Fluorides > 1343917-80-5
1343917-80-5 | 2-(3-Fluoro-6-methylphenyl)-2-butanol
CAS No: 1343917-80-5 Catalog No: AG01FD18 MDL No:
Product Description
Catalog Number:
AG01FD18
Chemical Name:
2-(3-Fluoro-6-methylphenyl)-2-butanol
CAS Number:
1343917-80-5
Molecular Formula:
C11H15FO
Molecular Weight:
182.2346
IUPAC Name:
2-(5-fluoro-2-methylphenyl)butan-2-ol
InChI:
InChI=1S/C11H15FO/c1-4-11(3,13)10-7-9(12)6-5-8(10)2/h5-7,13H,4H2,1-3H3
InChI Key:
XFPQNZZPWCZQSC-UHFFFAOYSA-N
SMILES:
CCC(c1cc(F)ccc1C)(O)C
Properties
Complexity:
172
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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