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130613-17-1 | 2-Quinolinecarboxylic acid, 4-(carboxymethoxy)-5,7-dichloro-
CAS No: 130613-17-1 Catalog No: AG000UP4 MDL No:
Product Description
Catalog Number:
AG000UP4
Chemical Name:
2-Quinolinecarboxylic acid, 4-(carboxymethoxy)-5,7-dichloro-
CAS Number:
130613-17-1
Molecular Formula:
C12H7Cl2NO5
Molecular Weight:
316.0937
IUPAC Name:
4-(carboxymethoxy)-5,7-dichloroquinoline-2-carboxylic acid
InChI:
InChI=1S/C12H7Cl2NO5/c13-5-1-6(14)11-7(2-5)15-8(12(18)19)3-9(11)20-4-10(16)17/h1-3H,4H2,(H,16,17)(H,18,19)
InChI Key:
PTKZVIQCXVIUOB-UHFFFAOYSA-N
SMILES:
OC(=O)COc1cc(nc2c1c(Cl)cc(c2)Cl)C(=O)O
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.97g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.09g/mol
Monoisotopic Mass:
314.97g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
96.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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