CAS: 189306-94-3
이름: 5-acetyl-2-ethyl-4-nitro-6-phenylpyridazin-3-one
SMILES:
CCN1C(=O)C(=C(C(=N1)C2=CC=CC=C2)C(=O)C)[N+](=O)[O-]Molecular Processing
Molecular formula
C14H13N3O4
Molecular weight
287.28
Exact mass
287.0906
XLogP
2.04
TPSA
95.1
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
76.27
Supplementary Information
InChIKey: BWVQSFMROMRENR-UHFFFAOYSA-N
동의어
SCHEMBL3033412BWVQSFMROMRENR-UHFFFAOYSA-NDB-1135805-acetyl-2-ethylnitro6-phenylpyridazin-3(2H)-one5-acetyl-2-ethylnitro-6-phenylpyridazin-3(2H)-one5-acetyl-2-ethyl nitro-6-phenylpyridazin-3(2H)-one5-acetyl-2-ethyl-4-nitro-6-phenylpyridazin-3(2H)-one189306-94-3
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