C1OC2=C(O1)C=C(C(=C2)C=O)Br
CAS: 15930-53-7
Nom: 6-bromo-1,3-benzodioxole-5-carbaldehyde
SMILES: C1OC2=C(O1)C=C(C(=C2)C=O)Br

Molecular Processing

Molecular formula
C8H5BrO3
Molecular weight
229.03
Exact mass
227.9422
XLogP
1.99
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
45.65

Supplementary Information

InChIKey: CSQUXTSIDQURDV-UHFFFAOYSA-N
Synonymes
Piperonal, 6-bromo-1,3-Benzodioxole-5-carboxaldehyde, 6-bromo-2-Bromo-4,5-methylenedioxybenzaldehyde6-Bromo-1,3-benzodioxole-5-carboxaldehydeBenzaldehyde, 2-bromo-4,5-methylenedioxy-NSC 15639BRN 0383965AI3-21175DTXSID101666265-19-04-00232 (Beilstein Handbook Reference)RefChem:413845DTXCID80891171,3-Benzodioxole-5-carboxaldehyde, 6-bromo-(9CI)672-421-36-Bromopiperonal15930-53-76-Bromo-1,3-benzodioxole-5-carbaldehyde6-Bromobenzo[d][1,3]dioxole-5-carbaldehyde6-Bromo-benzo[1,3]dioxole-5-carbaldehyde6-Bromo-2H-1,3-Benzodioxole-5-CarbaldehydeMFCD00022952HW4F8SRZ4Q6-Bromo-3,4-methylenedioxybenzaldehydeNSC-156396-bromo-2H-benzo[d]1,3-dioxolene-5-carbaldehyde2-Bromo-4,5-(methylenedioxy)benzaldehyde; 6-Bromo-1,3-benzodioxole-5-carboxaldehyde; 6-Bromo-3,4-(methylenedioxy)benzaldehyde; 6-Bromobenzodioxole-5-carboxaldehyde; NSC 15639;NSC156396-bromo-1,3-dioxaindane-5-carbaldehydeUNII-HW4F8SRZ4QSCHEMBL583659
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