Home Halogens Methyl 3-chloro-4-fluorobenzoate

Methyl 3-chloro-4-fluorobenzoate

CAS No.:
234082-35-0
Catalog Number:
AG002N49
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$28
- +
5g
98%
In Stock USA
United States
$82
- +
10g
98%
In Stock USA
United States
$125
- +
25g
98%
In Stock USA
United States
$282
- +
Product Description
Catalog Number:
AG002N49
Chemical Name:
Methyl 3-chloro-4-fluorobenzoate
CAS Number:
234082-35-0
Molecular Formula:
C8H6ClFO2
Molecular Weight:
188.5834
MDL Number:
MFCD06203675
IUPAC Name:
methyl 3-chloro-4-fluorobenzoate
InChI:
InChI=1S/C8H6ClFO2/c1-12-8(11)5-2-3-7(10)6(9)4-5/h2-4H,1H3
InChI Key:
RUTYNTBIMOCJMW-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(c(c1)Cl)F
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
188.004g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
188.582g/mol
Monoisotopic Mass:
188.004g/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