Home Halogens 3-bromo-2,4-dimethylbenzoic acid

3-bromo-2,4-dimethylbenzoic acid

CAS No.:
1255206-85-9
Catalog Number:
AG01B1MQ
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
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Product Description
Catalog Number:
AG01B1MQ
Chemical Name:
3-bromo-2,4-dimethylbenzoic acid
CAS Number:
1255206-85-9
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD22570369
IUPAC Name:
3-bromo-2,4-dimethylbenzoic acid
InChI:
InChI=1S/C9H9BrO2/c1-5-3-4-7(9(11)12)6(2)8(5)10/h3-4H,1-2H3,(H,11,12)
InChI Key:
SNANINYFIFMJBX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1C)Br)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