Home Halogens 2,4-Dichloro-quinoline-3-carboxylic acid ethyl ester

2,4-Dichloro-quinoline-3-carboxylic acid ethyl ester

CAS No.:
6315-94-2
Catalog Number:
AG00ELV2
Molecular Formula:
C12H9Cl2NO2
Molecular Weight:
270.1114
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Product Description
Catalog Number:
AG00ELV2
Chemical Name:
2,4-Dichloro-quinoline-3-carboxylic acid ethyl ester
CAS Number:
6315-94-2
Molecular Formula:
C12H9Cl2NO2
Molecular Weight:
270.1114
MDL Number:
MFCD00572654
IUPAC Name:
ethyl 2,4-dichloroquinoline-3-carboxylate
InChI:
InChI=1S/C12H9Cl2NO2/c1-2-17-12(16)9-10(13)7-5-3-4-6-8(7)15-11(9)14/h3-6H,2H2,1H3
InChI Key:
ULBLITMQCMVRMY-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(Cl)nc2c(c1Cl)cccc2
NSC Number:
21038
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.001g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.109g/mol
Monoisotopic Mass:
269.001g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties