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ethyl 2-bromo-5-methyl-1H-imidazole-4-carboxylate

ethyl 2-bromo-5-methyl-1H-imidazole-4-carboxylate

CAS: 95470-42-1

Formula: C7H9BrN2O2

SMILES: CCOC(=O)C1=C(C)NC(Br)=N1

IUPAC: ethyl 2-bromo-5-methyl-1H-imidazole-4-carboxylate

InChI: InChI=1S/C7H9BrN2O2/c1-3-12-6(11)5-4(2)9-7(8)10-5/h3H2,1-2H3,(H,9,10)

Composition: C (36.07%), H (3.89%), Br (34.28%), N (12.02%), O (13.73%)

Molar Mass: 233.065

Atom Count: 21

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 231.984741
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey LYNIJZZYBZLQCU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.19
Topological Polar Surface Area 54.98
Polarizability 18.31
Ring Count 1
Rotatable Bond Count 3

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