COC(=O)C1=C(C2=C(C=C1)OCO2)Cl
Name: methyl 4-chloro-1,3-benzodioxole-5-carboxylate
SMILES: COC(=O)C1=C(C2=C(C=C1)OCO2)Cl

Molecular Processing

Molecular formula
C9H7ClO4
Molecular weight
214.6
Exact mass
214.0033
XLogP
1.86
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
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
48.91

Supplementary Information

InChIKey: LVTKFVOZTACIJS-UHFFFAOYSA-N
Synonyme
SCHEMBL3542790LVTKFVOZTACIJS-UHFFFAOYSA-Nmethyl 4-chlorobenzo[d][1,3]dioxole-5-carboxylate
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