5-bromoindolizine-2-carboxylic acid

5-bromoindolizine-2-carboxylic acid

CAS: 1246552-85-1

Formula: C9H6BrNO2

SMILES: OC(=O)C1=CN2C(=C1)C=CC=C2Br

IUPAC: 5-bromoindolizine-2-carboxylic acid

InChI: InChI=1S/C9H6BrNO2/c10-8-3-1-2-7-4-6(9(12)13)5-11(7)8/h1-5H,(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	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	LBKBAODKECLISV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	52.8
Topological Polar Surface Area	41.71
Polarizability	20.08
Ring Count	2
Rotatable Bond Count	1

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