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Home Carbonyls Benzo[d][1,3]dioxole-5-carbonyl chloride

Benzo[d][1,3]dioxole-5-carbonyl chloride

CAS No.:
25054-53-9
Catalog Number:
AG002Q9Z
Molecular Formula:
C8H5ClO3
Molecular Weight:
184.5765
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Product Description
Catalog Number:
AG002Q9Z
Chemical Name:
Benzo[d][1,3]dioxole-5-carbonyl chloride
CAS Number:
25054-53-9
Molecular Formula:
C8H5ClO3
Molecular Weight:
184.5765
MDL Number:
MFCD09260331
IUPAC Name:
1,3-benzodioxole-5-carbonyl chloride
InChI:
InChI=1S/C8H5ClO3/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChI Key:
ZRSGZIMDIHBXIN-UHFFFAOYSA-N
SMILES:
ClC(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
195  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.993g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.575g/mol
Monoisotopic Mass:
183.993g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Design and Synthesis of Imidazopyrimidine Derivatives as Potent iNOS Dimerization Inhibitors. The open medicinal chemistry journal 20090101
Properties