Home Halogens 4-chloro-6-(chloromethyl)-2H-1,3-benzodioxole

4-chloro-6-(chloromethyl)-2H-1,3-benzodioxole

CAS No.:
885531-04-4
Catalog Number:
AG00IF78
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
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Product Description
Catalog Number:
AG00IF78
Chemical Name:
4-chloro-6-(chloromethyl)-2H-1,3-benzodioxole
CAS Number:
885531-04-4
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD20694314
IUPAC Name:
4-chloro-6-(chloromethyl)-1,3-benzodioxole
InChI:
InChI=1S/C8H6Cl2O2/c9-3-5-1-6(10)8-7(2-5)11-4-12-8/h1-2H,3-4H2
InChI Key:
HIBLZHMSBAYVEO-UHFFFAOYSA-N
SMILES:
ClCc1cc(Cl)c2c(c1)OCO2
Properties
Complexity:
165  
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:
1  
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties