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1020101-33-0 | 2-Quinolinecarboxylic acid, 4-chloro-8-methyl-, methyl ester
CAS No: 1020101-33-0 Catalog No: AG0006B0 MDL No:MFCD12913953
Product Description
Catalog Number:
AG0006B0
Chemical Name:
2-Quinolinecarboxylic acid, 4-chloro-8-methyl-, methyl ester
CAS Number:
1020101-33-0
Molecular Formula:
C12H10ClNO2
Molecular Weight:
235.6663
MDL Number:
MFCD12913953
IUPAC Name:
methyl 4-chloro-8-methylquinoline-2-carboxylate
InChI:
InChI=1S/C12H10ClNO2/c1-7-4-3-5-8-9(13)6-10(12(15)16-2)14-11(7)8/h3-6H,1-2H3
InChI Key:
FFRCXTXPLHQRFN-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(n1)c(C)ccc2
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.04g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.667g/mol
Monoisotopic Mass:
235.04g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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