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Home > Nitro Compounds > 610-93-5
610-93-5 | 6-Nitroisobenzofuran-1(3H)-one
CAS No: 610-93-5 Catalog No: AG003NBG MDL No:MFCD00033529
Product Description
Catalog Number:
AG003NBG
Chemical Name:
6-Nitroisobenzofuran-1(3H)-one
CAS Number:
610-93-5
Molecular Formula:
C8H5NO4
Molecular Weight:
179.1296
MDL Number:
MFCD00033529
IUPAC Name:
6-nitro-3H-2-benzofuran-1-one
InChI:
InChI=1S/C8H5NO4/c10-8-7-3-6(9(11)12)2-1-5(7)4-13-8/h1-3H,4H2
InChI Key:
RNWGZXAHUPFXLL-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)C(=O)OC2
NSC Number:
11332
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.022g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.131g/mol
Monoisotopic Mass:
179.022g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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