COC1=CC(=CC2=C1OCO2)C(=O)Cl
CAS: 76015-47-9
Name: 7-methoxy-1,3-benzodioxole-5-carbonyl chloride
SMILES: COC1=CC(=CC2=C1OCO2)C(=O)Cl

Molecular Processing

Molecular formula
C9H7ClO4
Molecular weight
214.6
Exact mass
214.0033
XLogP
1.8
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
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
49.3

Supplementary Information

InChIKey: FOIIGBZKBPCMII-UHFFFAOYSA-N
Synonyme
76015-47-91,3-BENZODIOXOLE-5-CARBONYL CHLORIDE, 7-METHOXY-7-Methoxy-2H-1,3-benzodioxole-5-carbonyl chlorideSCHEMBL4940987DTXSID90664473FOIIGBZKBPCMII-UHFFFAOYSA-NDB-2674723,4-methylenedioxy-5-methoxy-benzoyl chloride
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