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6-bromo-2H-1,3-benzodioxole-4-carbaldehyde

6-bromo-2H-1,3-benzodioxole-4-carbaldehyde

CAS: 72744-55-9

Formula: C8H5BrO3

SMILES: BrC1=CC2=C(OCO2)C(C=O)=C1

IUPAC: 6-bromo-2H-1,3-benzodioxole-4-carbaldehyde

InChI: InChI=1S/C8H5BrO3/c9-6-1-5(3-10)8-7(2-6)11-4-12-8/h1-3H,4H2

Composition: C (41.95%), H (2.20%), Br (34.89%), O (20.96%)

Molar Mass: 229.029

Atom Count: 17

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 227.942207
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GSUMLIBYYGBVMW-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 46.03
Topological Polar Surface Area 35.53
Polarizability 17.7
Ring Count 2
Rotatable Bond Count 1

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