6-chloro-1,3-benzodioxole-5-carbaldehyde


Chemical Name: 6-chloro-1,3-benzodioxole-5-carbaldehyde
CAS Number: 15952-61-1
Product Number: AG001R5J(AGN-PC-0JMR2J)
Synonyms:
MDL No:
Molecular Formula: C8H5ClO3
Molecular Weight: 184.5765

Identification/Properties


Computed Properties
Molecular Weight:
184.575g/mol
XLogP3:
1.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
183.993g/mol
Monoisotopic Mass:
183.993g/mol
Topological Polar Surface Area:
35.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
185
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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