CAS: 69922-28-7
الاسم: 5-isocyanato-1,3-benzodioxole
SMILES:
C1OC2=C(O1)C=C(C=C2)N=C=OMolecular Processing
Molecular formula
C8H5NO3
Molecular weight
163.13
Exact mass
163.0269
XLogP
1.38
TPSA
47.89
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
12
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
0.125
Molar refractivity
40.35
Supplementary Information
InChIKey: GTTXYMVUACJZRG-UHFFFAOYSA-N
مرادفات
3,4-(Methylenedioxy)phenyl isocyanate5-isocyanato-1,3-dioxaindaneRefChem:536453626-715-369922-28-75-isocyanato-1,3-benzodioxole5-isocyanato-2H-1,3-benzodioxole5-isocyanatobenzo[d][1,3]dioxoleMFCD018636921,3-Benzodioxol-5-yl isocyanate1,3-Benzodioxole, 5-isocyanato-3,4-(methylenedioxy)phenylisocyanateSCHEMBL140824SCHEMBL296488635-isocyanato-benzo[1,3]dioxoleDTXSID104112093,4-methylenedioxyphenylisocyanateGTTXYMVUACJZRG-UHFFFAOYSA-N3,4-methylenedioxyphenyl isocyanate3,4-methylenedioxy-phenyl isocyanateSTK5025553,4-(methylendioxy)phenyl-isocyanate3,4-(methylenedioxy)phenyl-isocyanateAKOS000183843AS-403733,4-(Methylenedioxy)phenyl isocyanate, 98%EN300-108964F307348F2190-0552Z316172548
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