Home Halogens Methyl 3-bromo-4-hydroxy-5-methoxybenzoate

Methyl 3-bromo-4-hydroxy-5-methoxybenzoate

CAS No.:
108249-43-0
Catalog Number:
AG007V59
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$75
- +
5g
97%
In Stock USA
United States
$225
- +
25g
97%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG007V59
Chemical Name:
Methyl 3-bromo-4-hydroxy-5-methoxybenzoate
CAS Number:
108249-43-0
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
MDL Number:
MFCD06203663
IUPAC Name:
methyl 3-bromo-4-hydroxy-5-methoxybenzoate
InChI:
InChI=1S/C9H9BrO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3
InChI Key:
UIWBPQDQVILUJA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(OC)c(c(c1)Br)O
Properties
Complexity:
209  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.968g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.071g/mol
Monoisotopic Mass:
259.968g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Properties