C1=CC(=C(C=C1C(=O)CC#N)F)F
CAS: 71682-97-8
الاسم: 3-(3,4-difluorophenyl)-3-oxopropanenitrile
SMILES: C1=CC(=C(C=C1C(=O)CC#N)F)F

Molecular Processing

Molecular formula
C9H5F2NO
Molecular weight
181.14
Exact mass
181.0339
XLogP
2.06
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
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
4
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
40.92

Supplementary Information

InChIKey: DMUDJKIYVPYJNF-UHFFFAOYSA-N
مرادفات
3,4-Difluorobenzoylacetonitrile71682-97-8DTXSID70374240RefChem:270928DTXCID10325271800-900-03-(3,4-difluorophenyl)-3-oxopropanenitrileMFCD022607813-Oxo-3-(3,4-difluorophenyl)propanenitrileSCHEMBL11345564SCHEMBL29484265DMUDJKIYVPYJNF-UHFFFAOYSA-NSBB089762AKOS000167691DS-80613,4-Difluoro-b-oxo-benzenepropanenitrileSY109590CS-0028795EN300-53798F022381A1-00630
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