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1783961-43-2 | Benzeneethanol, β,β-difluoro-4-methyl-
CAS No: 1783961-43-2 Catalog No: AG0025Z3 MDL No:
Product Description
Catalog Number:
AG0025Z3
Chemical Name:
Benzeneethanol, β,β-difluoro-4-methyl-
CAS Number:
1783961-43-2
Molecular Formula:
C9H10F2O
Molecular Weight:
172.1719
IUPAC Name:
2,2-difluoro-2-(4-methylphenyl)ethanol
InChI:
InChI=1S/C9H10F2O/c1-7-2-4-8(5-3-7)9(10,11)6-12/h2-5,12H,6H2,1H3
InChI Key:
LDUMNZLGOXQCRC-UHFFFAOYSA-N
SMILES:
OCC(c1ccc(cc1)C)(F)F
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.07g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
172.175g/mol
Monoisotopic Mass:
172.07g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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