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123117-64-6 | 1,2,3-Benzotriazin-4(3H)-one, 3-[(diphenoxyphosphinyl)oxy]- (9CI)
CAS No: 123117-64-6 Catalog No: AG000K1M MDL No:
Product Description
Catalog Number:
AG000K1M
Chemical Name:
1,2,3-Benzotriazin-4(3H)-one, 3-[(diphenoxyphosphinyl)oxy]- (9CI)
CAS Number:
123117-64-6
Molecular Formula:
C19H14N3O5P
Molecular Weight:
395.3053
IUPAC Name:
(4-oxo-1,2,3-benzotriazin-3-yl) diphenyl phosphate
InChI:
InChI=1S/C19H14N3O5P/c23-19-17-13-7-8-14-18(17)20-21-22(19)27-28(24,25-15-9-3-1-4-10-15)26-16-11-5-2-6-12-16/h1-14H
InChI Key:
REEZXUORHJJIES-UHFFFAOYSA-N
SMILES:
O=c1n(nnc2c1cccc2)OP(=O)(Oc1ccccc1)Oc1ccccc1
Properties
Complexity:
595
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
395.067g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
395.311g/mol
Monoisotopic Mass:
395.067g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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