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Home Halogens Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate

Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate

CAS No.:
5350-94-7
Catalog Number:
AG00DACR
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$100
- +
5g
98%
In Stock USA
United States
$300
- +
25g
98%
In Stock USA
United States
$850
- +
Product Description
Catalog Number:
AG00DACR
Chemical Name:
Ethyl 7-chloro-4-hydroxy-8-methylquinoline-3-carboxylate
CAS Number:
5350-94-7
Molecular Formula:
C13H12ClNO3
Molecular Weight:
265.6923
MDL Number:
MFCD00173377
IUPAC Name:
ethyl 7-chloro-8-methyl-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C13H12ClNO3/c1-3-18-13(17)9-6-15-11-7(2)10(14)5-4-8(11)12(9)16/h4-6H,3H2,1-2H3,(H,15,16)
InChI Key:
HOKMOQAMIGSWSJ-UHFFFAOYSA-N
SMILES:
Cc1c(Cl)ccc2c1ncc(c2O)C(=O)OCC
NSC Number:
83
Properties
Complexity:
394  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
265.693g/mol
Monoisotopic Mass:
265.051g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^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