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126163-30-2 | Benzeneethanol, 2,3-difluoro-
CAS No: 126163-30-2 Catalog No: AG000RWD MDL No:MFCD01862011
Product Description
Catalog Number:
AG000RWD
Chemical Name:
Benzeneethanol, 2,3-difluoro-
CAS Number:
126163-30-2
Molecular Formula:
C8H8F2O
Molecular Weight:
158.1453
MDL Number:
MFCD01862011
IUPAC Name:
2-(2,3-difluorophenyl)ethanol
InChI:
InChI=1S/C8H8F2O/c9-7-3-1-2-6(4-5-11)8(7)10/h1-3,11H,4-5H2
InChI Key:
RBNNHALDGIKSBZ-UHFFFAOYSA-N
SMILES:
OCCc1cccc(c1F)F
Properties
Complexity:
119
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:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 2-(2,3-Difluoro-phen-yl)ethyl toluene-4-sulfonate. | Acta crystallographica. Section E, Structure reports online 20100201 |
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