CC1C(=O)C2=C(O1)C=C(C=C2)Cl
Name: 6-chloro-2-methyl-1-benzofuran-3-one
SMILES: CC1C(=O)C2=C(O1)C=C(C=C2)Cl

Molecular Processing

Molecular formula
C9H7ClO2
Molecular weight
182.61
Exact mass
182.0135
XLogP
2.3
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
45.87

Supplementary Information

InChIKey: CRUBHOKQBMYCAP-UHFFFAOYSA-N
Synonyme
SCHEMBL9140141CRUBHOKQBMYCAP-UHFFFAOYSA-NAKOS0185432106-chloro-2-methyl-3(2H)-benzofuranone
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