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784-35-0 | Pentafluorophenylacetic acid ethyl ester
CAS No: 784-35-0 Catalog No: AG01FC52 MDL No:
Product Description
Catalog Number:
AG01FC52
Chemical Name:
Pentafluorophenylacetic acid ethyl ester
CAS Number:
784-35-0
Molecular Formula:
C10H7F5O2
Molecular Weight:
254.1534
IUPAC Name:
ethyl 2-(2,3,4,5,6-pentafluorophenyl)acetate
InChI:
InChI=1S/C10H7F5O2/c1-2-17-5(16)3-4-6(11)8(13)10(15)9(14)7(4)12/h2-3H2,1H3
InChI Key:
IINPFLBZFBSVQD-UHFFFAOYSA-N
SMILES:
CCOC(=O)Cc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.156g/mol
Monoisotopic Mass:
254.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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