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130613-19-3 | 2-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, methyl ester
CAS No: 130613-19-3 Catalog No: AG000UP2 MDL No:MFCD11855869
Product Description
Catalog Number:
AG000UP2
Chemical Name:
2-Quinolinecarboxylic acid, 5,7-dichloro-4-hydroxy-, methyl ester
CAS Number:
130613-19-3
Molecular Formula:
C11H7Cl2NO3
Molecular Weight:
272.0842
MDL Number:
MFCD11855869
IUPAC Name:
methyl 5,7-dichloro-4-oxo-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C11H7Cl2NO3/c1-17-11(16)8-4-9(15)10-6(13)2-5(12)3-7(10)14-8/h2-4H,1H3,(H,14,15)
InChI Key:
DNQDFGYHUHRIHR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(n1)cc(cc2Cl)Cl
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.98g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.081g/mol
Monoisotopic Mass:
270.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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