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1988-60-9 | Benzeneethanol, 2,3,4,5,6-pentafluoro-α-methyl-
CAS No: 1988-60-9 Catalog No: AG002BQY MDL No:
Product Description
Catalog Number:
AG002BQY
Chemical Name:
Benzeneethanol, 2,3,4,5,6-pentafluoro-α-methyl-
CAS Number:
1988-60-9
Molecular Formula:
C9H7F5O
Molecular Weight:
226.1433
IUPAC Name:
1-(2,3,4,5,6-pentafluorophenyl)propan-2-ol
InChI:
InChI=1S/C9H7F5O/c1-3(15)2-4-5(10)7(12)9(14)8(13)6(4)11/h3,15H,2H2,1H3
InChI Key:
VENFBZQYBFCNLS-UHFFFAOYSA-N
SMILES:
CC(Cc1c(F)c(F)c(c(c1F)F)F)O
NSC Number:
97017
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
226.146g/mol
Monoisotopic Mass:
226.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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