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145682-85-5 | Benzeneacetic acid, 2,3,4,5,6-pentafluoro-, methyl ester
CAS No: 145682-85-5 Catalog No: AG001DAF MDL No:
Product Description
Catalog Number:
AG001DAF
Chemical Name:
Benzeneacetic acid, 2,3,4,5,6-pentafluoro-, methyl ester
CAS Number:
145682-85-5
Molecular Formula:
C9H5F5O2
Molecular Weight:
240.1268
IUPAC Name:
methyl 2-(2,3,4,5,6-pentafluorophenyl)acetate
InChI:
InChI=1S/C9H5F5O2/c1-16-4(15)2-3-5(10)7(12)9(14)8(13)6(3)11/h2H2,1H3
InChI Key:
YCVCFIRVQLAKBA-UHFFFAOYSA-N
SMILES:
COC(=O)Cc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.129g/mol
Monoisotopic Mass:
240.021g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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