Home Halogens Methyl 3-bromo-2-methylbenzoate

Methyl 3-bromo-2-methylbenzoate

CAS No.:
99548-54-6
Catalog Number:
AG003RRE
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$107
- +
100g
98%
In Stock USA
United States
$313
- +
500g
98%
In Stock USA
United States
$1200
- +
Product Description
Catalog Number:
AG003RRE
Chemical Name:
Methyl 3-bromo-2-methylbenzoate
CAS Number:
99548-54-6
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD09031772
IUPAC Name:
methyl 3-bromo-2-methylbenzoate
InChI:
InChI=1S/C9H9BrO2/c1-6-7(9(11)12-2)4-3-5-8(6)10/h3-5H,1-2H3
InChI Key:
MKQQTCSBXHAYQL-UHFFFAOYSA-N
SMILES:
Cc1c(cccc1Br)C(=O)OC
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