Home Halogens Methyl 4-bromo-3-chlorobenzoate

Methyl 4-bromo-3-chlorobenzoate

CAS No.:
117738-74-6
Catalog Number:
AG008S3D
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$100
- +
5g
97%
In Stock USA
United States
$313
- +
10g
97%
In Stock USA
United States
$600
- +
25g
97%
In Stock USA
United States
$938
- +
Product Description
Catalog Number:
AG008S3D
Chemical Name:
Methyl 4-bromo-3-chlorobenzoate
CAS Number:
117738-74-6
Molecular Formula:
C8H6BrClO2
Molecular Weight:
249.4890
MDL Number:
MFCD11045619
IUPAC Name:
methyl 4-bromo-3-chlorobenzoate
InChI:
InChI=1S/C8H6BrClO2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3
InChI Key:
BPJMNAWSHVKGHE-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)Br
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.924g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.488g/mol
Monoisotopic Mass:
247.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties