Home Halogens Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate

Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate

CAS No.:
77156-85-5
Catalog Number:
AG005DU4
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$309
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Product Description
Catalog Number:
AG005DU4
Chemical Name:
Ethyl 4-chloro-7-methoxyquinoline-3-carboxylate
CAS Number:
77156-85-5
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
MDL Number:
MFCD02217815
IUPAC Name:
ethyl 4-chloro-7-methoxyquinoline-3-carboxylate
InChI:
InChI=1S/C13H12ClNO3/c1-3-18-13(16)10-7-15-11-6-8(17-2)4-5-9(11)12(10)14/h4-7H,3H2,1-2H3
InChI Key:
IXMRUGGFGJIANG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)ccc(c2)OC
Properties
Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.051g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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