Home Halogens Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate

Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate

CAS No.:
1131587-92-2
Catalog Number:
AG0093MB
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$275
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Product Description
Catalog Number:
AG0093MB
Chemical Name:
Methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
CAS Number:
1131587-92-2
Molecular Formula:
C9H6BrF3O3
Molecular Weight:
299.0413
MDL Number:
MFCD11110855
IUPAC Name:
methyl 5-bromo-2-hydroxy-4-(trifluoromethyl)benzoate
InChI:
InChI=1S/C9H6BrF3O3/c1-16-8(15)4-2-6(10)5(3-7(4)14)9(11,12)13/h2-3,14H,1H3
InChI Key:
ZFAKQPQSRXDSBA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1O)C(F)(F)F
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.945g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
299.043g/mol
Monoisotopic Mass:
297.945g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties