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85018-36-6 | 3-Methyl-1-oxo-6,8-diphenyl-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazin-5-ium tetrafluoroborate
CAS No: 85018-36-6 Catalog No: AG01EXRZ MDL No:
Product Description
Catalog Number:
AG01EXRZ
Chemical Name:
3-Methyl-1-oxo-6,8-diphenyl-3,4-dihydro-1H-pyrido[2,1-c][1,4]oxazin-5-ium tetrafluoroborate
CAS Number:
85018-36-6
Molecular Formula:
C21H18BF4NO2
Molecular Weight:
403.1777
IUPAC Name:
3-methyl-6,8-diphenyl-3,4-dihydropyrido[2,1-c][1,4]oxazin-5-ium-1-one;tetrafluoroborate
InChI:
InChI=1S/C21H18NO2.BF4/c1-15-14-22-19(17-10-6-3-7-11-17)12-18(13-20(22)21(23)24-15)16-8-4-2-5-9-16;2-1(3,4)5/h2-13,15H,14H2,1H3;/q+1;-1
InChI Key:
KOPNVXHTGRKSGF-UHFFFAOYSA-N
SMILES:
F[B-](F)(F)F.CC1OC(=O)c2[n+](C1)c(cc(c2)c1ccccc1)c1ccccc1
Properties
Complexity:
458
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
403.137g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
403.184g/mol
Monoisotopic Mass:
403.137g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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