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Home > Nitro Compounds > 823-74-5
823-74-5 | Furan,2-methyl-5-nitro-
CAS No: 823-74-5 Catalog No: AG004YMD MDL No:MFCD01726003
Product Description
Catalog Number:
AG004YMD
Chemical Name:
Furan,2-methyl-5-nitro-
CAS Number:
823-74-5
Molecular Formula:
C5H5NO3
Molecular Weight:
127.0981
MDL Number:
MFCD01726003
IUPAC Name:
2-methyl-5-nitrofuran
InChI:
InChI=1S/C5H5NO3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H3
InChI Key:
VOBFYAXUVBEUGM-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(o1)C
NSC Number:
6453
Properties
Complexity:
120
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
127.027g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
127.099g/mol
Monoisotopic Mass:
127.027g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Molecular modeling studies and in vitro bioactivity evaluation of a set of novel 5-nitro-heterocyclic derivatives as anti-T. cruzi agents. | Bioorganic & medicinal chemistry 20090401 |
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