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Home > Aldehydes > 114611-59-5
114611-59-5 | Acetaldehyde, O-[(2,3,4,5,6-pentafluorophenyl)methyl]oxime
CAS No: 114611-59-5 Catalog No: AG000ETR MDL No:
Product Description
Catalog Number:
AG000ETR
Chemical Name:
Acetaldehyde, O-[(2,3,4,5,6-pentafluorophenyl)methyl]oxime
CAS Number:
114611-59-5
Molecular Formula:
C9H6F5NO
Molecular Weight:
239.1421
IUPAC Name:
(E)-N-[(2,3,4,5,6-pentafluorophenyl)methoxy]ethanimine
InChI:
InChI=1S/C9H6F5NO/c1-2-15-16-3-4-5(10)7(12)9(14)8(13)6(4)11/h2H,3H2,1H3/b15-2+
InChI Key:
AKDRYEADQPNLOH-RSSMCMFDSA-N
SMILES:
CC=NOCc1c(F)c(F)c(c(c1F)F)F
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
239.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.145g/mol
Monoisotopic Mass:
239.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
Literature
| Title | Journal |
|---|---|
| Eosinophil peroxidase-derived reactive brominating species target the vinyl ether bond of plasmalogens generating a novel chemoattractant, alpha-bromo fatty aldehyde. | The Journal of biological chemistry 20030314 |
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