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Home > Nitro Compounds > 79917-54-7
79917-54-7 | Pyrimidine, 2-nitro- (9CI)
CAS No: 79917-54-7 Catalog No: AG00GHK3 MDL No:
Product Description
Catalog Number:
AG00GHK3
Chemical Name:
Pyrimidine, 2-nitro- (9CI)
CAS Number:
79917-54-7
IUPAC Name:
2-nitropyrimidine
InChI:
InChI=1S/C4H3N3O2/c8-7(9)4-5-2-1-3-6-4/h1-3H
InChI Key:
UQOKRDJILZMZKU-UHFFFAOYSA-N
Properties
Complexity:
105
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
125.023g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
125.087g/mol
Monoisotopic Mass:
125.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
71.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
Literature
| Title | Journal |
|---|---|
| A simple approach for predicting impact sensitivity of polynitroheteroarenes. | Journal of hazardous materials 20090730 |
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