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23468-31-7 | 5-Chloro-6-(chloromethyl);benzo[d][1,3]dioxole
CAS No: 23468-31-7 Catalog No: AG003N6X MDL No:MFCD00005822
Product Description
Catalog Number:
AG003N6X
Chemical Name:
5-Chloro-6-(chloromethyl);benzo[d][1,3]dioxole
CAS Number:
23468-31-7
Molecular Formula:
C8H6Cl2O2
Molecular Weight:
205.0380
MDL Number:
MFCD00005822
IUPAC Name:
5-chloro-6-(chloromethyl)-1,3-benzodioxole
InChI:
InChI=1S/C8H6Cl2O2/c9-3-5-1-7-8(2-6(5)10)12-4-11-7/h1-2H,3-4H2
InChI Key:
APJKOQPCHGXQBI-UHFFFAOYSA-N
SMILES:
ClCc1cc2OCOc2cc1Cl
EC Number:
245-678-0
NSC Number:
31302
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
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