C1=CC(=CC=C1C(=O)CC#N)Cl
CAS: 4640-66-8
Name: 3-(4-chlorophenyl)-3-oxopropanenitrile
SMILES: C1=CC(=CC=C1C(=O)CC#N)Cl

Molecular Processing

Molecular formula
C9H6ClNO
Molecular weight
179.61
Exact mass
179.0138
XLogP
2.44
TPSA
40.86
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
46.01

Supplementary Information

InChIKey: JYOUFPNYTOFCSJ-UHFFFAOYSA-N
Synonyme
4-Chlorobenzoylacetonitrile4640-66-8DTXSID40196835RefChem:98559DTXCID80119326626-826-7JYOUFPNYTOFCSJ-UHFFFAOYSA-N3-(4-chlorophenyl)-3-oxopropanenitrile4-ChlorophenacylcyanideMFCD00051625Benzenepropanenitrile, 4-chloro-b-oxo-3-(4-chloro-phenyl)-3-oxo-propionitrile(4-Chlorobenzoyl)acetonitrileMaybridge1_004509Cambridge id 5106731SCHEMBL1380224'-Chloro-2-cyanoacetophenoneHMS554E214-CHLOROBENZOYLACETONITIRLE4-Chlorobenzoylacetonitrile, 97%ALBB-008723CS-M2755EX-A3866CL8863SBB049524STK500553AKOS000206982FE-07293-(4-chlorophenyl)-3-oxo-propionitrile3-(4-chlorophenyl)-3-oxo-propanenitrile
Quelle anzeigen →
An 12 Reaktionen beteiligt→

Erweiterte Suche

Teilstruktursuche→Ähnlichkeitssuche→