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17640-54-9 | Phosphonic acid, [2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-, diethyl ester (9CI)
CAS No: 17640-54-9 Catalog No: AG0024NF MDL No:
Product Description
Catalog Number:
AG0024NF
Chemical Name:
Phosphonic acid, [2-oxo-2-(10H-phenothiazin-10-yl)ethyl]-, diethyl ester (9CI)
CAS Number:
17640-54-9
Molecular Formula:
C18H20NO4PS
Molecular Weight:
377.3945
IUPAC Name:
2-diethoxyphosphoryl-1-phenothiazin-10-ylethanone
InChI:
InChI=1S/C18H20NO4PS/c1-3-22-24(21,23-4-2)13-18(20)19-14-9-5-7-11-16(14)25-17-12-8-6-10-15(17)19/h5-12H,3-4,13H2,1-2H3
InChI Key:
CIQLDTMDSQPXMR-UHFFFAOYSA-N
SMILES:
CCOP(=O)(CC(=O)N1c2ccccc2Sc2c1cccc2)OCC
Properties
Complexity:
485
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.085g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.395g/mol
Monoisotopic Mass:
377.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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