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Home Halogens 3-Quinolinecarboxylic acid, 5-bromo-4-chloro-8-methyl-, ethyl ester

3-Quinolinecarboxylic acid, 5-bromo-4-chloro-8-methyl-, ethyl ester

CAS No.:
1157726-85-6
Catalog Number:
AG01DTN0
Molecular Formula:
C13H11BrClNO2
Molecular Weight:
328.5889
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$70
- +
250mg
95%
In Stock USA
United States
$126
- +
1g
95%
In Stock USA
United States
$252
- +
Product Description
Catalog Number:
AG01DTN0
Chemical Name:
3-Quinolinecarboxylic acid, 5-bromo-4-chloro-8-methyl-, ethyl ester
CAS Number:
1157726-85-6
Molecular Formula:
C13H11BrClNO2
Molecular Weight:
328.5889
MDL Number:
MFCD12065841
IUPAC Name:
ethyl 5-bromo-4-chloro-8-methylquinoline-3-carboxylate
InChI:
InChI=1S/C13H11BrClNO2/c1-3-18-13(17)8-6-16-12-7(2)4-5-9(14)10(12)11(8)15/h4-6H,3H2,1-2H3
InChI Key:
USJCVDKUEBMPHX-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1Cl)c(Br)ccc2C
Properties
Complexity:
315  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
326.966g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
328.59g/mol
Monoisotopic Mass:
326.966g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Properties