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259196-22-0 | 2-Quinolinecarboxylic acid, 4-chloro-6-nitro-, methyl ester
CAS No: 259196-22-0 Catalog No: AG002R0Z MDL No:MFCD00278541
Product Description
Catalog Number:
AG002R0Z
Chemical Name:
2-Quinolinecarboxylic acid, 4-chloro-6-nitro-, methyl ester
CAS Number:
259196-22-0
Molecular Formula:
C11H7ClN2O4
Molecular Weight:
266.6373
MDL Number:
MFCD00278541
IUPAC Name:
methyl 4-chloro-6-nitroquinoline-2-carboxylate
InChI:
InChI=1S/C11H7ClN2O4/c1-18-11(15)10-5-8(12)7-4-6(14(16)17)2-3-9(7)13-10/h2-5H,1H3
InChI Key:
MLNZGLXWSKPMPQ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(n1)ccc(c2)[N+](=O)[O-]
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.009g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
266.637g/mol
Monoisotopic Mass:
266.009g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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