sales@angenesci.com
Login | Register
logo
Structures Search
Home Halogens 3-Quinolinecarboxylic acid, 5-bromo-8-fluoro-4-hydroxy-, ethyl ester

3-Quinolinecarboxylic acid, 5-bromo-8-fluoro-4-hydroxy-, ethyl ester

CAS No.:
1065094-15-6
Catalog Number:
AG01DTRH
Molecular Formula:
C12H9BrFNO3
Molecular Weight:
314.1072
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$44
- +
250mg
95%
In Stock USA
United States
$82
- +
1g
95%
In Stock USA
United States
$159
- +
Product Description
Catalog Number:
AG01DTRH
Chemical Name:
3-Quinolinecarboxylic acid, 5-bromo-8-fluoro-4-hydroxy-, ethyl ester
CAS Number:
1065094-15-6
Molecular Formula:
C12H9BrFNO3
Molecular Weight:
314.1072
MDL Number:
MFCD28010429
IUPAC Name:
ethyl 5-bromo-8-fluoro-4-oxo-1H-quinoline-3-carboxylate
InChI:
InChI=1S/C12H9BrFNO3/c1-2-18-12(17)6-5-15-10-8(14)4-3-7(13)9(10)11(6)16/h3-5H,2H2,1H3,(H,15,16)
InChI Key:
XYYCVUGHMPPADO-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cnc2c(c1O)c(Br)ccc2F
Properties
Complexity:
399  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.975g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
314.11g/mol
Monoisotopic Mass:
312.975g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties