Home Halogens 5-bromo-2,3-dimethylbenzoic acid

5-bromo-2,3-dimethylbenzoic acid

CAS No.:
5613-27-4
Catalog Number:
AG01BFST
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG01BFST
Chemical Name:
5-bromo-2,3-dimethylbenzoic acid
CAS Number:
5613-27-4
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD24107213
IUPAC Name:
5-bromo-2,3-dimethylbenzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-5-3-7(10)4-8(6(5)2)9(11)12/h3-4H,1-2H3,(H,11,12)
InChI Key:
ZCZLDHYJFFDDOE-UHFFFAOYSA-N
SMILES:
Brc1cc(C)c(c(c1)C(=O)O)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