CAS: 90178-78-2
이름: 4-formyl-3-nitrobenzonitrile
SMILES:
C1=CC(=C(C=C1C#N)[N+](=O)[O-])C=OMolecular Processing
Molecular formula
C8H4N2O3
Molecular weight
176.13
Exact mass
176.0222
XLogP
1.28
TPSA
84
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0
Molar refractivity
43.2
Supplementary Information
InChIKey: KNKVNTDAQHBEAW-UHFFFAOYSA-N
동의어
4-formyl-3-nitrobenzonitrile90178-78-2DTXSID70531098RefChem:292961DTXCID70481887MFCD106968694-formyl-3-nitro-benzonitrileBENZONITRILE, 4-FORMYL-3-NITRO-4-cyano-2-nitrobenzaldehydeSCHEMBL125038SCHEMBL29805549KNKVNTDAQHBEAW-UHFFFAOYSA-NAKOS006303390AB58394AS-59366SY111720DB-118009CS-0045081F30248F228999
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