2-bromo-1H-indole-6-carboxylic acid

2-bromo-1H-indole-6-carboxylic acid

Formula: C9H6BrNO2

SMILES: OC(=O)C1=CC=C2C=C(Br)NC2=C1

IUPAC: 2-bromo-1H-indole-6-carboxylic acid

InChI: InChI=1S/C9H6BrNO2/c10-8-4-5-1-2-6(9(12)13)3-7(5)11-8/h1-4,11H,(H,12,13)

Composition: C (45.03%), H (2.52%), Br (33.29%), N (5.83%), O (13.33%)

Molar Mass: 240.056

Atom Count: 19

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	238.958191
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	PHUMXXWPXYBLDE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.81
Topological Polar Surface Area	53.09
Polarizability	20.7
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H6BrNO2		Quote Only