CC(C)(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2
CAS: 1061318-56-6
이름: 5-tert-butyl-6-nitro-1,3-benzodioxole
SMILES: CC(C)(C)C1=CC2=C(C=C1[N+](=O)[O-])OCO2

Molecular Processing

Molecular formula
C11H13NO4
Molecular weight
223.23
Exact mass
223.0845
XLogP
2.62
TPSA
61.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
57.92

Supplementary Information

InChIKey: XTAKTEJGSMAOEQ-UHFFFAOYSA-N
동의어
SCHEMBL4072927XTAKTEJGSMAOEQ-UHFFFAOYSA-N5-tert-Butyl-6-nitrobenzo[d][1,3]dioxoleDB-1004061061318-56-6
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