Home Halogens Methyl 3-bromo-4-fluorobenzoate

Methyl 3-bromo-4-fluorobenzoate

CAS No.:
82702-31-6
Catalog Number:
AG00356N
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$19
- +
5g
98%
In Stock USA
United States
$50
- +
10g
98%
In Stock USA
United States
$88
- +
25g
98%
In Stock USA
United States
$163
- +
100g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00356N
Chemical Name:
Methyl 3-bromo-4-fluorobenzoate
CAS Number:
82702-31-6
Molecular Formula:
C8H6BrFO2
Molecular Weight:
233.0344
MDL Number:
MFCD04972915
IUPAC Name:
methyl 3-bromo-4-fluorobenzoate
InChI:
InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key:
JVORYGNKYAXATM-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Br)F
EC Number:
617-378-3
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.954g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.036g/mol
Monoisotopic Mass:
231.954g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties