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82204-53-3 | Quinoline, 2-methyl-8-[(2-oxido-1,3,2-benzodioxaphosphol-2-yl)oxy]-
CAS No: 82204-53-3 Catalog No: AG008LFR MDL No:
Product Description
Catalog Number:
AG008LFR
Chemical Name:
Quinoline, 2-methyl-8-[(2-oxido-1,3,2-benzodioxaphosphol-2-yl)oxy]-
CAS Number:
82204-53-3
Molecular Formula:
C16H12NO4P
Molecular Weight:
313.2445
IUPAC Name:
2-(2-methylquinolin-8-yl)oxy-1,3,2λ5-benzodioxaphosphole 2-oxide
InChI:
InChI=1S/C16H12NO4P/c1-11-9-10-12-5-4-8-15(16(12)17-11)21-22(18)19-13-6-2-3-7-14(13)20-22/h2-10H,1H3
InChI Key:
YIGDGZXICAOXGK-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(n1)c(ccc2)OP1(=O)Oc2c(O1)cccc2
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.05g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
313.249g/mol
Monoisotopic Mass:
313.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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