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2859-77-0 | 1,3-Benzodioxole, 5-[[1-(2-chloroethoxy)ethoxy]methyl]-
CAS No: 2859-77-0 Catalog No: AG002VRO MDL No:
Product Description
Catalog Number:
AG002VRO
Chemical Name:
1,3-Benzodioxole, 5-[[1-(2-chloroethoxy)ethoxy]methyl]-
CAS Number:
2859-77-0
Molecular Formula:
C12H15ClO4
Molecular Weight:
258.6981
IUPAC Name:
5-[1-(2-chloroethoxy)ethoxymethyl]-1,3-benzodioxole
InChI:
InChI=1S/C12H15ClO4/c1-9(14-5-4-13)15-7-10-2-3-11-12(6-10)17-8-16-11/h2-3,6,9H,4-5,7-8H2,1H3
InChI Key:
SCBJLRVFLDVAKT-UHFFFAOYSA-N
SMILES:
ClCCOC(OCc1ccc2c(c1)OCO2)C
NSC Number:
14333
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.066g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.698g/mol
Monoisotopic Mass:
258.066g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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