C1=CON=C1CCl
CAS: 57684-71-6
Nom: 3-(chloromethyl)-1,2-oxazole
SMILES: C1=CON=C1CCl

Molecular Processing

Molecular formula
C4H4ClNO
Molecular weight
117.53
Exact mass
116.9981
XLogP
1.41
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
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
0.25
Molar refractivity
26.06

Supplementary Information

InChIKey: MKFCBJOVMMLPRT-UHFFFAOYSA-N
Synonymes
3-(chloromethyl)-1,2-oxazoleRefChem:494548851-362-93-(Chloromethyl)isoxazole57684-71-63-Chloromethyl-isoxazoleIsoxazole, 3-(chloromethyl)-3-chloromethylisoxazoleMFCD068096463-(chloromethyl)-isoxazoleISOXAZOLE,3-(CHLOROMETHYL)-chloromethyl isoxazoleSCHEMBL541847DTXSID70406737MKFCBJOVMMLPRT-UHFFFAOYSA-NHCA68471SBB013648STK688147AKOS000271175MB04274BS-12745SY260266DB-003378ST4127233CS-0085312EN300-24261F13567F233215F8880-5747
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Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→