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Home > Nitro Compounds > 5466-84-2
5466-84-2 | 5-Nitroisobenzofuran-1,3-dione
CAS No: 5466-84-2 Catalog No: AG003LWH MDL No:MFCD00005922
Product Description
Catalog Number:
AG003LWH
Chemical Name:
5-Nitroisobenzofuran-1,3-dione
CAS Number:
5466-84-2
Molecular Formula:
C8H3NO5
Molecular Weight:
193.1131
MDL Number:
MFCD00005922
IUPAC Name:
5-nitro-2-benzofuran-1,3-dione
InChI:
InChI=1S/C8H3NO5/c10-7-5-2-1-4(9(12)13)3-6(5)8(11)14-7/h1-3H
InChI Key:
MMVIDXVHQANYAE-UHFFFAOYSA-N
SMILES:
O=C1OC(=O)c2c1cc(cc2)[N+](=O)[O-]
EC Number:
226-776-2
UNII:
SQN32UA63N
NSC Number:
26424
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.001g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
193.114g/mol
Monoisotopic Mass:
193.001g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
89.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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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