4-bromo-1H-indole-3-carboxylic acid

4-bromo-1H-indole-3-carboxylic acid

CAS: 110811-31-9

Formula: C9H6BrNO2

SMILES: OC(=O)C1=CNC2=CC=CC(Br)=C12

IUPAC: 4-bromo-1H-indole-3-carboxylic acid

InChI: InChI=1S/C9H6BrNO2/c10-6-2-1-3-7-8(6)5(4-11-7)9(12)13/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	GJQQLCJFHKJARJ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.02
Topological Polar Surface Area	53.09
Polarizability	20.67
Ring Count	2
Rotatable Bond Count	1

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