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Home Halogens Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate

Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate

CAS No.:
1072944-77-4
Catalog Number:
AG003RYX
Molecular Formula:
C12H7BrF3NO3
Molecular Weight:
350.0881
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$50
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG003RYX
Chemical Name:
Methyl 8-bromo-4-hydroxy-5-trifluoromethylquinoline-2-carboxylate
CAS Number:
1072944-77-4
Molecular Formula:
C12H7BrF3NO3
Molecular Weight:
350.0881
MDL Number:
MFCD11504926
IUPAC Name:
methyl 8-bromo-4-oxo-5-(trifluoromethyl)-1H-quinoline-2-carboxylate
InChI:
InChI=1S/C12H7BrF3NO3/c1-20-11(19)7-4-8(18)9-5(12(14,15)16)2-3-6(13)10(9)17-7/h2-4H,1H3,(H,17,18)
InChI Key:
OPEUYXHXFXICBM-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)c2c(n1)c(Br)ccc2C(F)(F)F
Properties
Complexity:
463  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.956g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.091g/mol
Monoisotopic Mass:
348.956g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties