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Home > Fluorides > 868049-93-8
868049-93-8 | 1-(3,4-Difluorophenyl)-2-methyl-2-propanol
CAS No: 868049-93-8 Catalog No: AG01EXZW MDL No:
Product Description
Catalog Number:
AG01EXZW
Chemical Name:
1-(3,4-Difluorophenyl)-2-methyl-2-propanol
CAS Number:
868049-93-8
Molecular Formula:
C10H12F2O
Molecular Weight:
186.1985
IUPAC Name:
1-(3,4-difluorophenyl)-2-methylpropan-2-ol
InChI:
InChI=1S/C10H12F2O/c1-10(2,13)6-7-3-4-8(11)9(12)5-7/h3-5,13H,6H2,1-2H3
InChI Key:
ZHJNDDKGFIIIST-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1F)CC(O)(C)C
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.086g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.202g/mol
Monoisotopic Mass:
186.086g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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