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16839-91-1 | Acetic acid, 2,2-difluoro-, phenyl ester
CAS No: 16839-91-1 Catalog No: AG001Y1E MDL No:
Product Description
Catalog Number:
AG001Y1E
Chemical Name:
Acetic acid, 2,2-difluoro-, phenyl ester
CAS Number:
16839-91-1
Molecular Formula:
C8H6F2O2
Molecular Weight:
172.1288
IUPAC Name:
phenyl 2,2-difluoroacetate
InChI:
InChI=1S/C8H6F2O2/c9-7(10)8(11)12-6-4-2-1-3-5-6/h1-5,7H
InChI Key:
WOGFNBLENKYWEK-UHFFFAOYSA-N
SMILES:
FC(C(=O)Oc1ccccc1)F
Properties
Complexity:
153
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.034g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.131g/mol
Monoisotopic Mass:
172.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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