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2002-93-9 | Benzenemethanol, 2,3,4,5,6-pentafluoro-, 1-acetate
CAS No: 2002-93-9 Catalog No: AG002CLW MDL No:
Product Description
Catalog Number:
AG002CLW
Chemical Name:
Benzenemethanol, 2,3,4,5,6-pentafluoro-, 1-acetate
CAS Number:
2002-93-9
Molecular Formula:
C9H5F5O2
Molecular Weight:
240.1268
IUPAC Name:
acetic acid;(2,3,4,5,6-pentafluorophenyl)methanol
InChI:
InChI=1S/C7H3F5O.C2H4O2/c8-3-2(1-13)4(9)6(11)7(12)5(3)10;1-2(3)4/h13H,1H2;1H3,(H,3,4)
InChI Key:
AAYLBHZKLGKGJU-UHFFFAOYSA-N
SMILES:
CC(=O)OCc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.144g/mol
Monoisotopic Mass:
258.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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