5-bromo-2H-1,3-benzodioxol-4-amine

5-bromo-2H-1,3-benzodioxol-4-amine

CAS: 401811-78-7

Formula: C7H6BrNO2

SMILES: NC1=C(Br)C=CC2=C1OCO2

IUPAC: 5-bromo-2H-1,3-benzodioxol-4-amine

InChI: InChI=1S/C7H6BrNO2/c8-4-1-2-5-7(6(4)9)11-3-10-5/h1-2H,3,9H2

Composition: C (38.92%), H (2.80%), Br (36.99%), N (6.48%), O (14.81%)

Molar Mass: 216.034

Atom Count: 17

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	214.958191
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	LQAZIDHOTLRDSD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.15
Topological Polar Surface Area	44.48
Polarizability	16.91
Ring Count	2
Rotatable Bond Count	0

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