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10037-28-2 | 2,3-Quinolinedicarboxylic acid, 6-chloro-4-phenyl-, 2,3-dimethyl ester
CAS No: 10037-28-2 Catalog No: AG0001RM MDL No:
Product Description
Catalog Number:
AG0001RM
Chemical Name:
2,3-Quinolinedicarboxylic acid, 6-chloro-4-phenyl-, 2,3-dimethyl ester
CAS Number:
10037-28-2
Molecular Formula:
C19H14ClNO4
Molecular Weight:
355.7718
IUPAC Name:
dimethyl 6-chloro-4-phenylquinoline-2,3-dicarboxylate
InChI:
InChI=1S/C19H14ClNO4/c1-24-18(22)16-15(11-6-4-3-5-7-11)13-10-12(20)8-9-14(13)21-17(16)19(23)25-2/h3-10H,1-2H3
InChI Key:
NRXCHRCWWCBBHT-UHFFFAOYSA-N
SMILES:
COC(=O)c1c(nc2c(c1c1ccccc1)cc(cc2)Cl)C(=O)OC
NSC Number:
86892
Properties
Complexity:
494
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.061g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
355.774g/mol
Monoisotopic Mass:
355.061g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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