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

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

CAS: 6698-13-1

Formula: C7H5BrO2

SMILES: BrC1=CC=CC2=C1OCO2

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

InChI: InChI=1S/C7H5BrO2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-3H,4H2

Composition: C (41.83%), H (2.51%), Br (39.75%), O (15.92%)

Molar Mass: 201.019

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.947292
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	VZPMQHSDFWAZHP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	39.45
Topological Polar Surface Area	18.46
Polarizability	15.73
Ring Count	2
Rotatable Bond Count	0

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