Name: Name:3-Quinolinecarboxylic acid, 4-chloro-8-nitro-, ethyl ester
Brand: Angene
SKU: AG000ZEQ
Rating: 90 (10 reviews)

3-Quinolinecarboxylic acid, 4-chloro-8-nitro-, ethyl ester

CAS No.:

131548-98-6

Catalog Number:

AG000ZEQ

Molecular Formula:

C12H9ClN2O4

Molecular Weight:

280.6639

Catalog Number:

AG000ZEQ

Chemical Name:

3-Quinolinecarboxylic acid, 4-chloro-8-nitro-, ethyl ester

CAS Number:

131548-98-6

Molecular Formula:

C12H9ClN2O4

Molecular Weight:

280.6639

MDL Number:

MFCD18251635

IUPAC Name:

ethyl 4-chloro-8-nitroquinoline-3-carboxylate

InChI:

InChI=1S/C12H9ClN2O4/c1-2-19-12(16)8-6-14-11-7(10(8)13)4-3-5-9(11)15(17)18/h3-6H,2H2,1H3

InChI Key:

UVMXISWKXFDSGZ-UHFFFAOYSA-N

SMILES:

[O-][N+](=O)c1cccc2c1ncc(c2Cl)C(=O)OCC

Complexity:

360

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.025g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.664g/mol

Monoisotopic Mass:

280.025g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

85A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9