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51788-85-3 | 2-(4-Fluoro-2-methylphenyl)-2-propanol
CAS No: 51788-85-3 Catalog No: AG01EWB7 MDL No:
Product Description
Catalog Number:
AG01EWB7
Chemical Name:
2-(4-Fluoro-2-methylphenyl)-2-propanol
CAS Number:
51788-85-3
Molecular Formula:
C10H13FO
Molecular Weight:
168.2080
IUPAC Name:
2-(4-fluoro-2-methylphenyl)propan-2-ol
InChI:
InChI=1S/C10H13FO/c1-7-6-8(11)4-5-9(7)10(2,3)12/h4-6,12H,1-3H3
InChI Key:
VAQDKEXTNJUSGO-UHFFFAOYSA-N
SMILES:
Fc1ccc(c(c1)C)C(O)(C)C
Properties
Complexity:
156
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:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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