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871587-52-9 | 1,3-Benzodioxole, 4,5-bis(chloromethyl)-
CAS No: 871587-52-9 Catalog No: AG004KIG MDL No:
Product Description
Catalog Number:
AG004KIG
Chemical Name:
1,3-Benzodioxole, 4,5-bis(chloromethyl)-
CAS Number:
871587-52-9
Molecular Formula:
C9H8Cl2O2
Molecular Weight:
219.0646
IUPAC Name:
4,5-bis(chloromethyl)-1,3-benzodioxole
InChI:
InChI=1S/C9H8Cl2O2/c10-3-6-1-2-8-9(7(6)4-11)13-5-12-8/h1-2H,3-5H2
InChI Key:
PMISSIIYINBBOF-UHFFFAOYSA-N
SMILES:
ClCc1c(CCl)ccc2c1OCO2
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.99g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.061g/mol
Monoisotopic Mass:
217.99g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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