CAS: 100275-94-3
الاسم: 6-isocyanato-2,3-dihydro-1,4-benzodioxine
SMILES:
C1COC2=C(O1)C=CC(=C2)N=C=OMolecular Processing
Molecular formula
C9H7NO3
Molecular weight
177.16
Exact mass
177.0426
XLogP
1.43
TPSA
47.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.21
Supplementary Information
InChIKey: OGVYMEFCSKVNQH-UHFFFAOYSA-N
مرادفات
100275-94-36-isocyanato-2,3-dihydro-1,4-benzodioxineDTXSID20379866RefChem:543483DTXCID80330892623-999-02,3-Dihydro-1,4-benzodioxin-6-yl isocyanateMFCD026777051,4-Benzodioxin, 2,3-dihydro-6-isocyanato-2,3-Dihydro-1,4-benzodioxin-6-yl-isocyanate6-Isocyanato-1,4-benzodioxane1,4-Benzodioxin,2,3-dihydro-6-isocyanato-2,3-Dihydro-1,4-benzodioxin-6-ylisocyanate6-isocyanato-2,3-dihydrobenzo[b][1,4]dioxineSCHEMBL5920196-isocyanato-1,4-benzodioxanSCHEMBL295408373,4-ethylenedioxyphenylisocyanateOGVYMEFCSKVNQH-UHFFFAOYSA-NALBB-003046BBL037664STK502566AKOS0002657566-Isocyanato-1,4-benzodioxane, 97%SY081320VS-143512,3-Dihydrobenzo[1,4]dioxin-6-ylisocyanate2,3-dihydrobenzo[1,4]dioxin-6-yl isocyanate6-isocyanato-2,3-dihydro-benzo[1,4]dioxineEN300-146736
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