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Home Halogens Methyl 2,5-dichlorobenzoate

Methyl 2,5-dichlorobenzoate

CAS No.:
2905-69-3
Catalog Number:
AG002X7B
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$63
- +
100g
98%
In Stock USA
United States
$188
- +
500g
98%
In Stock USA
United States
$750
- +
Product Description
Catalog Number:
AG002X7B
Chemical Name:
Methyl 2,5-dichlorobenzoate
CAS Number:
2905-69-3
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD00000606
IUPAC Name:
methyl 2,5-dichlorobenzoate
InChI:
InChI=1S/C8H6Cl2O2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
InChI Key:
SPJQBGGHUDNAIC-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)ccc1Cl
EC Number:
220-815-7
UNII:
J07555O4HE
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.974g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.034g/mol
Monoisotopic Mass:
203.974g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1  
Literature
Title Journal
Quantum chemical studies of FT-IR and Raman spectra of methyl 2,5-dichlorobenzoate. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20110901
Methyl 2,5-dichloro-benzoate. Acta crystallographica. Section E, Structure reports online 20081001
Properties