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1311279-13-6 | 4-(2-Dimethylamino-5-trifluoromethyl-pyridin-3-yl)-benzaldehyde
CAS No: 1311279-13-6 Catalog No: AG01F5ZM MDL No:
Product Description
Catalog Number:
AG01F5ZM
Chemical Name:
4-(2-Dimethylamino-5-trifluoromethyl-pyridin-3-yl)-benzaldehyde
CAS Number:
1311279-13-6
Molecular Formula:
C15H13F3N2O
Molecular Weight:
294.2717
IUPAC Name:
4-[2-(dimethylamino)-5-(trifluoromethyl)pyridin-3-yl]benzaldehyde
InChI:
InChI=1S/C15H13F3N2O/c1-20(2)14-13(7-12(8-19-14)15(16,17)18)11-5-3-10(9-21)4-6-11/h3-9H,1-2H3
InChI Key:
VRJRQWYAVBTCRB-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)c1cc(cnc1N(C)C)C(F)(F)F
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.098g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.277g/mol
Monoisotopic Mass:
294.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
33.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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