methyl 6-bromoimidazo[1,2-a]pyrazine-8-carboxylate

methyl 6-bromoimidazo[1,2-a]pyrazine-8-carboxylate

CAS: 1379297-22-9

Formula: C8H6BrN3O2

SMILES: COC(=O)C1=NC(Br)=CN2C=CN=C12

IUPAC: methyl 6-bromoimidazo[1,2-a]pyrazine-8-carboxylate

InChI: InChI=1S/C8H6BrN3O2/c1-14-8(13)6-7-10-2-3-12(7)4-5(9)11-6/h2-4H,1H3

Composition: C (37.53%), H (2.36%), Br (31.21%), N (16.41%), O (12.50%)

Molar Mass: 256.059

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	254.964339
Formal Charge	0
FSP3	0.12
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MDEIINGCHGEFBF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	53.9
Topological Polar Surface Area	56.49
Polarizability	19.94
Ring Count	2
Rotatable Bond Count	2

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