4-bromo-1H-indole-7-carboxylic acid

4-bromo-1H-indole-7-carboxylic acid

CAS: 1211594-25-0

Formula: C9H6BrNO2

SMILES: OC(=O)C1=C2NC=CC2=C(Br)C=C1

IUPAC: 4-bromo-1H-indole-7-carboxylic acid

InChI: InChI=1S/C9H6BrNO2/c10-7-2-1-6(9(12)13)8-5(7)3-4-11-8/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	CDTILRQKJWYBOM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.02
Topological Polar Surface Area	53.09
Polarizability	20.66
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	1211594-25-0		$128.62-$510.71$128.62$204.28$340.47$510.71