Home Halogens Methyl 5-bromo-2-fluoro-4-methylbenzoate

Methyl 5-bromo-2-fluoro-4-methylbenzoate

CAS No.:
478374-76-4
Catalog Number:
AG00DJTU
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$219
- +
250mg
95%
In Stock USA
United States
$438
- +
1g
95%
In Stock USA
United States
$1050
- +
5g
95%
In Stock USA
United States
$3000
- +
Product Description
Catalog Number:
AG00DJTU
Chemical Name:
Methyl 5-bromo-2-fluoro-4-methylbenzoate
CAS Number:
478374-76-4
Molecular Formula:
C9H8BrFO2
Molecular Weight:
247.0610
MDL Number:
MFCD23703144
IUPAC Name:
methyl 5-bromo-2-fluoro-4-methylbenzoate
InChI:
InChI=1S/C9H8BrFO2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,1-2H3
InChI Key:
HXRZJJNEXLYOBD-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Br)c(cc1F)C
Properties
Complexity:
198  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
245.969g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.063g/mol
Monoisotopic Mass:
245.969g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Properties