CAS: 68119-31-3
Nom: 2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile
SMILES:
N#CCc1ccc2c(c1)OC(F)(F)O2Molecular Processing
Molecular formula
C9H5F2NO2
Molecular weight
197.14
Exact mass
197.0288
XLogP
2.07
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
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
0.222
Molar refractivity
41.96
Supplementary Information
InChIKey: OGDSGFSPCQGELG-UHFFFAOYSA-N
Synonymes
68119-31-32,2-Difluoro-1,3-benzodioxole-5-acetonitrileRefChem:2432722-(2,2-DIFLUOROBENZO[D][1,3]DIOXOL-5-YL)ACETONITRILE2-(2,2-DIFLUORO-2H-1,3-BENZODIOXOL-5-YL)ACETONITRILEMFCD099239422-(2,2-DIFLUORO-1,3-BENZODIOXOL-5-YL)ACETONITRILE1,3-Benzodioxole-5-acetonitrile, 2,2-difluoro-(2,2-DIFLUORO-BENZO[1,3]DIOXOL-5-YL)-ACETONITRILE2-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile (Benzodiaxol carbonitrile)SCHEMBL351790DTXSID401255676CS-M2546AKOS006312508DS-9354PB10779SY040591DB-344530EN300-2623845-(Cyanomethyl)-2,2-Difluoro-1,3-benzodioxole2,2-difluoro-benzo[1,3]dioxol-5-yl-acetonitrileF387018(2,2-difluoro-1,3-benzodioxo1-5-yl)-acetonitrile(2,2-difluoro-1,3-benzodioxol-5-yl)-acetonitrile2-(2,2-difluoro-1,3-dioxaindan-5-yl)acetonitrile(2,2-Difluoro-2H-1,3-benzodioxol-5-yl)acetonitrile
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