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Home > Fluorides > 868700-77-0
868700-77-0 | 1-(4-Fluoro-3-methylphenyl)-2-methyl-2-propanol
CAS No: 868700-77-0 Catalog No: AG01EXZZ MDL No:
Product Description
Catalog Number:
AG01EXZZ
Chemical Name:
1-(4-Fluoro-3-methylphenyl)-2-methyl-2-propanol
CAS Number:
868700-77-0
Molecular Formula:
C11H15FO
Molecular Weight:
182.2346
IUPAC Name:
1-(4-fluoro-3-methylphenyl)-2-methylpropan-2-ol
InChI:
InChI=1S/C11H15FO/c1-8-6-9(4-5-10(8)12)7-11(2,3)13/h4-6,13H,7H2,1-3H3
InChI Key:
WNVORUPSVQMGMC-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C)CC(O)(C)C
Properties
Complexity:
168
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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