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698378-81-3 | Ethyl 2,2-difluoro-2-(3-fluorophenyl)acetate
CAS No: 698378-81-3 Catalog No: AG003Q22 MDL No:MFCD16036119
Product Description
Catalog Number:
AG003Q22
Chemical Name:
Ethyl 2,2-difluoro-2-(3-fluorophenyl)acetate
CAS Number:
698378-81-3
Molecular Formula:
C10H9F3O2
Molecular Weight:
218.1725
MDL Number:
MFCD16036119
IUPAC Name:
ethyl 2,2-difluoro-2-(3-fluorophenyl)acetate
InChI:
InChI=1S/C10H9F3O2/c1-2-15-9(14)10(12,13)7-4-3-5-8(11)6-7/h3-6H,2H2,1H3
InChI Key:
SSRNVBDWXPUQQL-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1cccc(c1)F)(F)F
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.055g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.175g/mol
Monoisotopic Mass:
218.055g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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