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ethyl 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

ethyl 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

CAS: 1170568-70-3

Formula: C9H13BrClN3O2

SMILES: Cl.CCOC(=O)C1=C(Br)N2CCNCC2=N1

IUPAC: ethyl 3-bromo-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

InChI: InChI=1S/C9H12BrN3O2.ClH/c1-2-15-9(14)7-8(10)13-4-3-11-5-6(13)12-7;/h11H,2-5H2,1H3;1H

Composition: C (34.81%), H (4.22%), Br (25.73%), Cl (11.41%), N (13.53%), O (10.30%)

Molar Mass: 310.58

Atom Count: 29

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 308.987967
Formal Charge 0
FSP3 0.56
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZQYGKSLNKWCJFB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 58.32
Topological Polar Surface Area 56.15
Polarizability 22.68
Ring Count 2
Rotatable Bond Count 3

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