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1228690-56-9 | Benzenemethanol, 2,3-difluoro-α-methyl-
CAS No: 1228690-56-9 Catalog No: AG000JNL MDL No:MFCD18911748
Product Description
Catalog Number:
AG000JNL
Chemical Name:
Benzenemethanol, 2,3-difluoro-α-methyl-
CAS Number:
1228690-56-9
Molecular Formula:
C8H8F2O
Molecular Weight:
158.1453
MDL Number:
MFCD18911748
IUPAC Name:
1-(2,3-difluorophenyl)ethanol
InChI:
InChI=1S/C8H8F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-5,11H,1H3
InChI Key:
IWMIWBJLOWDKSQ-UHFFFAOYSA-N
SMILES:
CC(c1cccc(c1F)F)O
Properties
Complexity:
129
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
158.054g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
158.148g/mol
Monoisotopic Mass:
158.054g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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