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Home > Nitro Compounds > 2620-44-2
2620-44-2 | 1,3-Benzodioxole, 5-nitro-
CAS No: 2620-44-2 Catalog No: AG002S9M MDL No:MFCD00005824
Product Description
Catalog Number:
AG002S9M
Chemical Name:
1,3-Benzodioxole, 5-nitro-
CAS Number:
2620-44-2
Molecular Formula:
C7H5NO4
Molecular Weight:
167.1189
MDL Number:
MFCD00005824
IUPAC Name:
5-nitro-1,3-benzodioxole
InChI:
InChI=1S/C7H5NO4/c9-8(10)5-1-2-6-7(3-5)12-4-11-6/h1-3H,4H2
InChI Key:
SNWQAKNKGGOVMO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)OCO2
EC Number:
220-055-6
NSC Number:
5562
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.022g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
167.12g/mol
Monoisotopic Mass:
167.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
64.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| A spectrophotometric assay for the detection of fungal peroxygenases. | Analytical biochemistry 20120201 |
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