Home Halogens Methyl 3-bromo-5-methylbenzoate

Methyl 3-bromo-5-methylbenzoate

CAS No.:
478375-40-5
Catalog Number:
AG0038PI
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$38
- +
5g
96%
In Stock USA
United States
$113
- +
25g
96%
In Stock USA
United States
$394
- +
Product Description
Catalog Number:
AG0038PI
Chemical Name:
Methyl 3-bromo-5-methylbenzoate
CAS Number:
478375-40-5
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD11007827
IUPAC Name:
methyl 3-bromo-5-methylbenzoate
InChI:
InChI=1S/C9H9BrO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
InChI Key:
OAOZBFUAVJUPED-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(C)cc(c1)Br
Properties
Complexity:
170  
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:
0
Isotope Atom Count:
0
Molecular Weight:
229.073g/mol
Monoisotopic Mass:
227.979g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties