Home Halogens Methyl 3-(bromomethyl)benzoate

Methyl 3-(bromomethyl)benzoate

CAS No.:
1129-28-8
Catalog Number:
AG00356E
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$28
- +
25g
98%
In Stock USA
United States
$107
- +
100g
98%
In Stock USA
United States
$307
- +
500g
98%
In Stock USA
United States
$1125
- +
Product Description
Catalog Number:
AG00356E
Chemical Name:
Methyl 3-(bromomethyl)benzoate
CAS Number:
1129-28-8
Molecular Formula:
C9H9BrO2
Molecular Weight:
229.0706
MDL Number:
MFCD00051437
IUPAC Name:
methyl 3-(bromomethyl)benzoate
InChI:
InChI=1S/C9H9BrO2/c1-12-9(11)8-4-2-3-7(5-8)6-10/h2-5H,6H2,1H3
InChI Key:
YUHSMQQNPRLEEJ-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc(c1)CBr
EC Number:
419-100-4
Properties
Complexity:
159  
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:
3  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Methyl 2-[(2-methyl-phen-oxy)meth-yl]benzoate. Acta crystallographica. Section E, Structure reports online 20120301
Properties