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methyl 2-chloro-5-methyl-1H-imidazole-4-carboxylate

methyl 2-chloro-5-methyl-1H-imidazole-4-carboxylate

CAS: 128095-75-0

Formula: C6H7ClN2O2

SMILES: COC(=O)C1=C(C)NC(Cl)=N1

IUPAC: methyl 2-chloro-5-methyl-1H-imidazole-4-carboxylate

InChI: InChI=1S/C6H7ClN2O2/c1-3-4(5(10)11-2)9-6(7)8-3/h1-2H3,(H,8,9)

Composition: C (41.28%), H (4.04%), Cl (20.31%), N (16.05%), O (18.33%)

Molar Mass: 174.58

Atom Count: 18

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 174.0196052
Formal Charge 0
FSP3 0.33
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey QRKNHUYLADEXTJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.84
Topological Polar Surface Area 54.98
Polarizability 15.43
Ring Count 1
Rotatable Bond Count 2

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