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295787-48-3 | 3-Pyridinecarboxylic acid, 2-chloro-, 2-(ethoxycarbonyl)-4-oxo-4H-1-benzopyran-7-yl ester
CAS No: 295787-48-3 Catalog No: AG002YTA MDL No:
Product Description
Catalog Number:
AG002YTA
Chemical Name:
3-Pyridinecarboxylic acid, 2-chloro-, 2-(ethoxycarbonyl)-4-oxo-4H-1-benzopyran-7-yl ester
CAS Number:
295787-48-3
Molecular Formula:
C18H12ClNO6
Molecular Weight:
373.7440
IUPAC Name:
(2-ethoxycarbonyl-4-oxochromen-7-yl) 2-chloropyridine-3-carboxylate
InChI:
InChI=1S/C18H12ClNO6/c1-2-24-18(23)15-9-13(21)11-6-5-10(8-14(11)26-15)25-17(22)12-4-3-7-20-16(12)19/h3-9H,2H2,1H3
InChI Key:
KMXKLKGSIAQUJB-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc(=O)c2c(o1)cc(cc2)OC(=O)c1cccnc1Cl
Properties
Complexity:
607
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
373.035g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.745g/mol
Monoisotopic Mass:
373.035g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
91.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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