AE67217
1245644-44-3 | Methyl 4-ethyl-2-methyl-1H-imidazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE67217
ChemicalName
Methyl 4-ethyl-2-methyl-1H-imidazole-5-carboxylate
CasNumber
1245644-44-3
MolecularFormula
C8H12N2O2
MolecularWeight
168.1931
MdlNumber
MFCD12756158
Smiles
COC(=O)c1[nH]c(nc1CC)C
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.5
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CatalogNumber: AE67217
ChemicalName: Methyl 4-ethyl-2-methyl-1H-imidazole-5-carboxylate
CasNumber: 1245644-44-3
MolecularFormula: C8H12N2O2
MolecularWeight: 168.1931
MdlNumber: MFCD12756158
Smiles: COC(=O)c1[nH]c(nc1CC)C
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.5
CatalogNumber:
AE67217
ChemicalName:
Methyl 4-ethyl-2-methyl-1H-imidazole-5-carboxylate
CasNumber:
1245644-44-3
MolecularFormula:
C8H12N2O2
MolecularWeight:
168.1931
MdlNumber:
MFCD12756158
Smiles:
COC(=O)c1[nH]c(nc1CC)C
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.5
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Smiles: Brc1ccc2c(c1)c1cc(Br)ccc1n2c1ccc2c(c1)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1ccc2c(c1)c1cc(Br)ccc1n2c1ccc2c(c1)cccc2
Complexity:
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Smiles: N#Cc1cc(Cl)ncc1N
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Smiles:
N#Cc1cc(Cl)ncc1N
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HydrogenBondDonorCount:
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Smiles: CC(=O)Nc1c(C)ccc2c1cccc2
Complexity: __
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HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CC(=O)Nc1c(C)ccc2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__