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892874-52-1 | 7-CHLOROQUINOLINE-2,3-DICARBOXYLIC ACID
CAS No: 892874-52-1 Catalog No: AG0040ZK MDL No:
Product Description
Catalog Number:
AG0040ZK
Chemical Name:
7-CHLOROQUINOLINE-2,3-DICARBOXYLIC ACID
CAS Number:
892874-52-1
Molecular Formula:
C11H6ClNO4
Molecular Weight:
251.6226
IUPAC Name:
7-chloroquinoline-2,3-dicarboxylic acid
InChI:
InChI=1S/C11H6ClNO4/c12-6-2-1-5-3-7(10(14)15)9(11(16)17)13-8(5)4-6/h1-4H,(H,14,15)(H,16,17)
InChI Key:
HNQOGJKSDRVURM-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)nc(c(c2)C(=O)O)C(=O)O
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.999g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.622g/mol
Monoisotopic Mass:
250.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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