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Home > Aldehydes > 128886-88-4
128886-88-4 | Benzaldehyde, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
CAS No: 128886-88-4 Catalog No: AG000YGM MDL No:
Product Description
Catalog Number:
AG000YGM
Chemical Name:
Benzaldehyde, 4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
CAS Number:
128886-88-4
Molecular Formula:
C9H5F3N2O
Molecular Weight:
214.1440
IUPAC Name:
4-[3-(trifluoromethyl)diazirin-3-yl]benzaldehyde
InChI:
InChI=1S/C9H5F3N2O/c10-9(11,12)8(13-14-8)7-3-1-6(5-15)2-4-7/h1-5H
InChI Key:
MLXUIWNFGIROFY-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)C1(N=N1)C(F)(F)F
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.147g/mol
Monoisotopic Mass:
214.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Presenilin is the molecular target of acidic γ-secretase modulators in living cells. | PloS one 20120101 |
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