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198696-84-3 | 2-Quinolinecarboxylic acid, 4,5,7-trichloro-, methyl ester
CAS No: 198696-84-3 Catalog No: AG002BOD MDL No:
Product Description
Catalog Number:
AG002BOD
Chemical Name:
2-Quinolinecarboxylic acid, 4,5,7-trichloro-, methyl ester
CAS Number:
198696-84-3
Molecular Formula:
C11H6Cl3NO2
Molecular Weight:
290.5298
IUPAC Name:
methyl 4,6,7-trichloroquinoline-2-carboxylate
InChI:
InChI=1S/C11H6Cl3NO2/c1-17-11(16)10-3-6(12)5-2-7(13)8(14)4-9(5)15-10/h2-4H,1H3
InChI Key:
IUORCKWAHAFGEX-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(n1)cc(cc2Cl)Cl
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.946g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.524g/mol
Monoisotopic Mass:
288.946g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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