6-bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

6-bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

CAS: 1000018-56-3

Formula: C7H4BrN3O2

SMILES: OC(=O)C1=CN2C=C(Br)N=CC2=N1

IUPAC: 6-bromoimidazo[1,2-a]pyrazine-2-carboxylic acid

InChI: InChI=1S/C7H4BrN3O2/c8-5-3-11-2-4(7(12)13)10-6(11)1-9-5/h1-3H,(H,12,13)

Composition: C (34.74%), H (1.67%), Br (33.01%), N (17.36%), O (13.22%)

Molar Mass: 242.032

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	240.948689
Formal Charge	0
FSP3	0
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	KEMAWFHELKESRS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.13
Topological Polar Surface Area	67.49
Polarizability	17.93
Ring Count	2
Rotatable Bond Count	1

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