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Home > Aldehydes > 1311283-72-3
1311283-72-3 | O-Dimethylaminocarbonyl-3-(6-dimethylamino-4-trifluoromethylpyridin-2-yl)benzaldehyde oxime
CAS No: 1311283-72-3 Catalog No: AG01F31B MDL No:
Product Description
Catalog Number:
AG01F31B
Chemical Name:
O-Dimethylaminocarbonyl-3-(6-dimethylamino-4-trifluoromethylpyridin-2-yl)benzaldehyde oxime
CAS Number:
1311283-72-3
Molecular Formula:
C18H19F3N4O2
Molecular Weight:
380.3643
IUPAC Name:
[(E)-[3-[6-(dimethylamino)-4-(trifluoromethyl)pyridin-2-yl]phenyl]methylideneamino] N,N-dimethylcarbamate
InChI:
InChI=1S/C18H19F3N4O2/c1-24(2)16-10-14(18(19,20)21)9-15(23-16)13-7-5-6-12(8-13)11-22-27-17(26)25(3)4/h5-11H,1-4H3/b22-11+
InChI Key:
YMQZUOUYOFWAAT-SSDVNMTOSA-N
SMILES:
CN(C(=O)O/N=C/c1cccc(c1)c1nc(cc(c1)C(F)(F)F)N(C)C)C
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
380.146g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
380.371g/mol
Monoisotopic Mass:
380.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
58A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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