1-Chloromethyl-4-methyl-2,6,7-trioxabicyclo(2.2.2)octane


Chemical Name: 1-Chloromethyl-4-methyl-2,6,7-trioxabicyclo(2.2.2)octane
CAS Number: 60028-24-2
Product Number: AG00EQLC(AGN-PC-0KOB69)
Synonyms:
MDL No:
Molecular Formula: C7H11ClO3
Molecular Weight: 178.6134

Identification/Properties


Computed Properties
Molecular Weight:
178.612g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
178.04g/mol
Monoisotopic Mass:
178.04g/mol
Topological Polar Surface Area:
27.7A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
147
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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