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Home > Aldehydes > 205485-25-2
205485-25-2 | Benzaldehyde, 2-methoxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
CAS No: 205485-25-2 Catalog No: AG002A3L MDL No:
Product Description
Catalog Number:
AG002A3L
Chemical Name:
Benzaldehyde, 2-methoxy-4-[3-(trifluoromethyl)-3H-diazirin-3-yl]-
CAS Number:
205485-25-2
Molecular Formula:
C10H7F3N2O2
Molecular Weight:
244.1700
IUPAC Name:
2-methoxy-4-[3-(trifluoromethyl)diazirin-3-yl]benzaldehyde
InChI:
InChI=1S/C10H7F3N2O2/c1-17-8-4-7(3-2-6(8)5-16)9(14-15-9)10(11,12)13/h2-5H,1H3
InChI Key:
VSSSUXPZDNKHRK-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1C=O)C1(N=N1)C(F)(F)F
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
244.173g/mol
Monoisotopic Mass:
244.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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