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3073-77-6 | 2-Pyrimidinamine, 5-nitro-
CAS No: 3073-77-6 Catalog No: AG00312F MDL No:MFCD00006103
Product Description
Catalog Number:
AG00312F
Chemical Name:
2-Pyrimidinamine, 5-nitro-
CAS Number:
3073-77-6
Molecular Formula:
C4H4N4O2
Molecular Weight:
140.1002
MDL Number:
MFCD00006103
IUPAC Name:
5-nitropyrimidin-2-amine
InChI:
InChI=1S/C4H4N4O2/c5-4-6-1-3(2-7-4)8(9)10/h1-2H,(H2,5,6,7)
InChI Key:
SSHFCFRJYJIJDV-UHFFFAOYSA-N
SMILES:
Nc1ncc(cn1)[N+](=O)[O-]
EC Number:
221-348-1
Properties
Complexity:
126
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
140.033g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
140.102g/mol
Monoisotopic Mass:
140.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
Literature
| Title | Journal |
|---|---|
| Quantum chemical studies on structure of 2-amino-5-nitropyrimidine. | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120601 |
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