Home Other Building Blocks 3-Bromo-4,5-dimethoxybenzoic acid

3-Bromo-4,5-dimethoxybenzoic acid

CAS No.:
20731-48-0
Catalog Number:
AG002IZE
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)(T)
1 week
United States
$310
- +
Product Description
Catalog Number:
AG002IZE
Chemical Name:
3-Bromo-4,5-dimethoxybenzoic acid
CAS Number:
20731-48-0
Molecular Formula:
C9H9BrO4
Molecular Weight:
261.0694
MDL Number:
MFCD00094247
IUPAC Name:
3-bromo-4,5-dimethoxybenzoic acid
InChI:
InChI=1S/C9H9BrO4/c1-13-7-4-5(9(11)12)3-6(10)8(7)14-2/h3-4H,1-2H3,(H,11,12)
InChI Key:
ZODURELBYVOPGP-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)Br)C(=O)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  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties