Home Other Building Blocks 4-Bromo-2,5-dimethylbenzoic acid

4-Bromo-2,5-dimethylbenzoic acid

CAS No.:
276677-03-3
Catalog Number:
AG01A3ZP
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
1 week
United States
$170
- +
1g
98%
1 week
United States
$288
- +
5g
98%
1 week
United States
$774
- +
25g
98%
1 week
United States
$2809
- +
Product Description
Catalog Number:
AG01A3ZP
Chemical Name:
4-Bromo-2,5-dimethylbenzoic acid
CAS Number:
276677-03-3
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD01846558
IUPAC Name:
4-bromo-2,5-dimethylbenzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-5-4-8(10)6(2)3-7(5)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
PYZYBJKFYYDWPH-UHFFFAOYSA-N
SMILES:
Cc1cc(C(=O)O)c(cc1Br)C
Properties
Complexity:
181  
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