Home Halogens Methyl 3-chloro-4,5-methylenedioxybenzoate

Methyl 3-chloro-4,5-methylenedioxybenzoate

CAS No.:
1490946-47-8
Catalog Number:
AG00HXOM
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$438
- +
5g
98%
In Stock USA
United States
$1188
- +
Product Description
Catalog Number:
AG00HXOM
Chemical Name:
Methyl 3-chloro-4,5-methylenedioxybenzoate
CAS Number:
1490946-47-8
Molecular Formula:
C9H7ClO4
Molecular Weight:
214.6025
MDL Number:
MFCD23713914
IUPAC Name:
methyl 7-chloro-1,3-benzodioxole-5-carboxylate
InChI:
InChI=1S/C9H7ClO4/c1-12-9(11)5-2-6(10)8-7(3-5)13-4-14-8/h2-3H,4H2,1H3
InChI Key:
SGGCOTOBSQPEJR-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(Cl)c2c(c1)OCO2
Properties
Complexity:
233  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.003g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.601g/mol
Monoisotopic Mass:
214.003g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
44.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties