Home Halogens 4,7,8-Trichloroquinoline-3-carboxylic acid ethyl ester

4,7,8-Trichloroquinoline-3-carboxylic acid ethyl ester

CAS No.:
56824-89-6
Catalog Number:
AG00EK9X
Molecular Formula:
C12H8Cl3NO2
Molecular Weight:
304.5564
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Product Description
Catalog Number:
AG00EK9X
Chemical Name:
4,7,8-Trichloroquinoline-3-carboxylic acid ethyl ester
CAS Number:
56824-89-6
Molecular Formula:
C12H8Cl3NO2
Molecular Weight:
304.5564
MDL Number:
MFCD00173366
IUPAC Name:
ethyl 4,7,8-trichloroquinoline-3-carboxylate
InChI:
InChI=1S/C12H8Cl3NO2/c1-2-18-12(17)7-5-16-11-6(9(7)14)3-4-8(13)10(11)15/h3-5H,2H2,1H3
InChI Key:
NNBXZIDLEQWOTH-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)ccc(c2Cl)Cl
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.962g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.551g/mol
Monoisotopic Mass:
302.962g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties