1-(6-bromo-2H-1,3-benzodioxol-4-yl)methanamine

1-(6-bromo-2H-1,3-benzodioxol-4-yl)methanamine

CAS: 887581-73-9

Formula: C8H8BrNO2

SMILES: NCC1=C2OCOC2=CC(Br)=C1

IUPAC: 1-(6-bromo-2H-1,3-benzodioxol-4-yl)methanamine

InChI: InChI=1S/C8H8BrNO2/c9-6-1-5(3-10)8-7(2-6)11-4-12-8/h1-2H,3-4,10H2

Composition: C (41.77%), H (3.51%), Br (34.73%), N (6.09%), O (13.91%)

Molar Mass: 230.061

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	228.973842
Formal Charge	0
FSP3	0.25
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SMZCQOSIKIMZDI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.92
Topological Polar Surface Area	44.48
Polarizability	19.04
Ring Count	2
Rotatable Bond Count	1

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