AD66869
1080-79-1 | Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD66869
ChemicalName
Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
CasNumber
1080-79-1
MolecularFormula
C9H12N2O4
MolecularWeight
212.2026
MdlNumber
MFCD00723829
Smiles
CCOC(=O)c1[nH]cnc1C(=O)OCC
NscNumber
514471
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
6
Xlogp3
1.2
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CatalogNumber: AD66869
ChemicalName: Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
CasNumber: 1080-79-1
MolecularFormula: C9H12N2O4
MolecularWeight: 212.2026
MdlNumber: MFCD00723829
Smiles: CCOC(=O)c1[nH]cnc1C(=O)OCC
NscNumber: 514471
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 6
Xlogp3: 1.2
CatalogNumber:
AD66869
ChemicalName:
Diethyl 4,5-imidazole-1H-4,5-dicarboxylate
CasNumber:
1080-79-1
MolecularFormula:
C9H12N2O4
MolecularWeight:
212.2026
MdlNumber:
MFCD00723829
Smiles:
CCOC(=O)c1[nH]cnc1C(=O)OCC
NscNumber:
514471
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
6
Xlogp3:
1.2
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Smiles: COc1cc(C[Mg+])ccc1OC.[Cl-]
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Complexity: __
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Smiles:
COc1cc(C[Mg+])ccc1OC.[Cl-]
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Smiles: NCCc1c[nH]c2c1ccc(c2)Br.Cl
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Smiles:
NCCc1c[nH]c2c1ccc(c2)Br.Cl
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HeavyAtomCount:
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RotatableBondCount:
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Smiles: NC(=O)C1NCCc2c1[nH]c1c2cccc1
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=O)C1NCCc2c1[nH]c1c2cccc1
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__