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

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

CAS: 86153-25-5

Formula: C9H6BrNO2

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

IUPAC: 7-bromo-1H-indole-3-carboxylic acid

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