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1228957-05-8 | Benzeneacetic acid, α,α,2,4-tetrafluoro-, ethyl ester
CAS No: 1228957-05-8 Catalog No: AG000JQD MDL No:MFCD16618951
Product Description
Catalog Number:
AG000JQD
Chemical Name:
Benzeneacetic acid, α,α,2,4-tetrafluoro-, ethyl ester
CAS Number:
1228957-05-8
Molecular Formula:
C10H8F4O2
Molecular Weight:
236.1629
MDL Number:
MFCD16618951
IUPAC Name:
ethyl 2-(2,4-difluorophenyl)-2,2-difluoroacetate
InChI:
InChI=1S/C10H8F4O2/c1-2-16-9(15)10(13,14)7-4-3-6(11)5-8(7)12/h3-5H,2H2,1H3
InChI Key:
YAKBPASPIJTDDM-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(c1ccc(cc1F)F)(F)F
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.166g/mol
Monoisotopic Mass:
236.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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