Home Halogens 4-bromo-3,5-dimethylbenzoic acid

4-bromo-3,5-dimethylbenzoic acid

CAS No.:
7697-32-7
Catalog Number:
AG00GMW3
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
In Stock USA
United States
$137
- +
1g
95%
In Stock USA
United States
$261
- +
5g
95%
In Stock USA
United States
$746
- +
Product Description
Catalog Number:
AG00GMW3
Chemical Name:
4-bromo-3,5-dimethylbenzoic acid
CAS Number:
7697-32-7
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD16250111
IUPAC Name:
4-bromo-3,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-5-3-7(9(11)12)4-6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
OKEOADKQDIJJMU-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(C)c(c(c1)C)Br
Properties
Complexity:
169  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties