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Home > Fluorides > 1379300-61-4
1379300-61-4 | 2-(3-Fluoro-2-methylphenyl)-2-butanol
CAS No: 1379300-61-4 Catalog No: AG01FD34 MDL No:
Product Description
Catalog Number:
AG01FD34
Chemical Name:
2-(3-Fluoro-2-methylphenyl)-2-butanol
CAS Number:
1379300-61-4
Molecular Formula:
C11H15FO
Molecular Weight:
182.2346
IUPAC Name:
2-(3-fluoro-2-methylphenyl)butan-2-ol
InChI:
InChI=1S/C11H15FO/c1-4-11(3,13)9-6-5-7-10(12)8(9)2/h5-7,13H,4H2,1-3H3
InChI Key:
KEEQGYZFCJEOMD-UHFFFAOYSA-N
SMILES:
CCC(c1cccc(c1C)F)(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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