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129973-51-9

129973-51-9 | Benzeneethanol, β,β-difluoro-

CAS No: 129973-51-9 Catalog No: AG000TTP MDL No:MFCD12031804

Product Description

Catalog Number:
AG000TTP
Chemical Name:
Benzeneethanol, β,β-difluoro-
CAS Number:
129973-51-9
Molecular Formula:
C8H8F2O
Molecular Weight:
158.1453
MDL Number:
MFCD12031804
IUPAC Name:
2,2-difluoro-2-phenylethanol
InChI:
InChI=1S/C8H8F2O/c9-8(10,6-11)7-4-2-1-3-5-7/h1-5,11H,6H2
InChI Key:
XKGODUKBPIRBOF-UHFFFAOYSA-N
SMILES:
OCC(c1ccccc1)(F)F
EC Number:
603-377-5

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:
1.9  

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