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Home > Nitro Compounds > 62089-17-2
62089-17-2 | 6-Azido-7-nitro-2,3-dihydro-1,4-benzodioxine
CAS No: 62089-17-2 Catalog No: AG01EA7I MDL No:
Product Description
Catalog Number:
AG01EA7I
Chemical Name:
6-Azido-7-nitro-2,3-dihydro-1,4-benzodioxine
CAS Number:
62089-17-2
Molecular Formula:
C8H6N4O4
Molecular Weight:
222.1576
IUPAC Name:
7-azido-6-nitro-2,3-dihydro-1,4-benzodioxine
InChI:
InChI=1S/C8H6N4O4/c9-11-10-5-3-7-8(16-2-1-15-7)4-6(5)12(13)14/h3-4H,1-2H2
InChI Key:
CPBVECIRFQFMHQ-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1cc2OCCOc2cc1[N+](=O)[O-]
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
222.16g/mol
Monoisotopic Mass:
222.039g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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