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Home > Nitro Compounds > 830-07-9
830-07-9 | NITROFURILEN
CAS No: 830-07-9 Catalog No: AG00GIZ6 MDL No:
Product Description
Catalog Number:
AG00GIZ6
Chemical Name:
NITROFURILEN
CAS Number:
830-07-9
IUPAC Name:
2-nitro-5-[(E)-2-nitroethenyl]furan
InChI:
InChI=1S/C6H4N2O5/c9-7(10)4-3-5-1-2-6(13-5)8(11)12/h1-4H/b4-3+
InChI Key:
NMZDNQIJZAERIO-ONEGZZNKSA-N
NSC Number:
35342
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
184.012g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.107g/mol
Monoisotopic Mass:
184.012g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors. | Journal of medicinal chemistry 20081113 |
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