Home Carbonyls 2H-1,3-benzodioxole-5-carbonyl azide

2H-1,3-benzodioxole-5-carbonyl azide

CAS No.:
54022-34-3
Catalog Number:
AG01AAP7
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
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Product Description
Catalog Number:
AG01AAP7
Chemical Name:
2H-1,3-benzodioxole-5-carbonyl azide
CAS Number:
54022-34-3
Molecular Formula:
C8H5N3O3
Molecular Weight:
191.1436
MDL Number:
MFCD11637208
IUPAC Name:
1,3-benzodioxole-5-carbonyl azide
InChI:
InChI=1S/C8H5N3O3/c9-11-10-8(12)5-1-2-6-7(3-5)14-4-13-6/h1-3H,4H2
InChI Key:
FSISZPWQLFHTPZ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=NC(=O)c1ccc2c(c1)OCO2
Properties
Complexity:
288  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.033g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.146g/mol
Monoisotopic Mass:
191.033g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties