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1396980-07-6 | Benzeneacetic acid, α-(diethoxyphosphinyl)-4-(trifluoromethyl)-, methyl ester
CAS No: 1396980-07-6 Catalog No: AG001BJ0 MDL No:
Product Description
Catalog Number:
AG001BJ0
Chemical Name:
Benzeneacetic acid, α-(diethoxyphosphinyl)-4-(trifluoromethyl)-, methyl ester
CAS Number:
1396980-07-6
Molecular Formula:
C14H18F3O5P
Molecular Weight:
354.2587
IUPAC Name:
3,4,5-trimethoxy-N-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
InChI:
InChI=1S/C22H24N2O5/c1-13-6-7-14-9-16(21(25)23-17(14)8-13)12-24(2)22(26)15-10-18(27-3)20(29-5)19(11-15)28-4/h6-11H,12H2,1-5H3,(H,23,25)
InChI Key:
VXLAXLHIIVEQKM-UHFFFAOYSA-N
SMILES:
CCOP(=O)(C(c1ccc(cc1)C(F)(F)F)C(=O)OC)OCC
Properties
Complexity:
623
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.169g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
396.443g/mol
Monoisotopic Mass:
396.169g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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