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141222-98-2 | 2-Quinolinecarboxylic acid, 4-[(carboxymethyl)imino]-5,7-dichloro-1,4-dihydro-
CAS No: 141222-98-2 Catalog No: AG001G3I MDL No:
Product Description
Catalog Number:
AG001G3I
Chemical Name:
2-Quinolinecarboxylic acid, 4-[(carboxymethyl)imino]-5,7-dichloro-1,4-dihydro-
CAS Number:
141222-98-2
Molecular Formula:
C12H8Cl2N2O4
Molecular Weight:
315.1089
IUPAC Name:
4-(carboxymethylamino)-5,7-dichloroquinoline-2-carboxylic acid
InChI:
InChI=1S/C12H8Cl2N2O4/c13-5-1-6(14)11-7(15-4-10(17)18)3-9(12(19)20)16-8(11)2-5/h1-3H,4H2,(H,15,16)(H,17,18)(H,19,20)
InChI Key:
UJAOIPMPKPYADL-UHFFFAOYSA-N
SMILES:
OC(=O)CN=c1cc([nH]c2c1c(Cl)cc(c2)Cl)C(=O)O
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.986g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
315.106g/mol
Monoisotopic Mass:
313.986g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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