Home Halogens Methyl 3-bromo-4-methylbenzoate

Methyl 3-bromo-4-methylbenzoate

CAS No.:
104901-43-1
Catalog Number:
AG003RRG
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$15
- +
25g
98%
In Stock USA
United States
$50
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$619
- +
Product Description
Catalog Number:
AG003RRG
Chemical Name:
Methyl 3-bromo-4-methylbenzoate
CAS Number:
104901-43-1
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00144769
IUPAC Name:
methyl 3-bromo-4-methylbenzoate
InChI:
InChI=1S/C9H9BrO2/c1-6-3-4-7(5-8(6)10)9(11)12-2/h3-5H,1-2H3
InChI Key:
MASRAGFWFYHMFI-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)C
EC Number:
600-619-1
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