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Home > Nitro Compounds > 102039-36-1
102039-36-1 | 1H-Pyrazole-1-acetamide, N-(acetyloxy)-3-nitro-
CAS No: 102039-36-1 Catalog No: AG0006F9 MDL No:
Product Description
Catalog Number:
AG0006F9
Chemical Name:
1H-Pyrazole-1-acetamide, N-(acetyloxy)-3-nitro-
CAS Number:
102039-36-1
Molecular Formula:
C7H8N4O5
Molecular Weight:
228.1622
IUPAC Name:
[[2-(3-nitropyrazol-1-yl)acetyl]amino] acetate
InChI:
InChI=1S/C7H8N4O5/c1-5(12)16-9-7(13)4-10-3-2-6(8-10)11(14)15/h2-3H,4H2,1H3,(H,9,13)
InChI Key:
FTVMNLPBCRVKHY-UHFFFAOYSA-N
SMILES:
O=C(Cn1ccc(n1)[N+](=O)[O-])NOC(=O)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.164g/mol
Monoisotopic Mass:
228.049g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
119A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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