AD41348
109012-23-9 | Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD41348
ChemicalName
Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
CasNumber
109012-23-9
MolecularFormula
C7H9N3O4
MolecularWeight
199.1641
MdlNumber
MFCD03789110
Smiles
[O-][N+](=O)c1cn(c(n1)C(=O)OCC)C
Complexity
240
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
0.7
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CatalogNumber: AD41348
ChemicalName: Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
CasNumber: 109012-23-9
MolecularFormula: C7H9N3O4
MolecularWeight: 199.1641
MdlNumber: MFCD03789110
Smiles: [O-][N+](=O)c1cn(c(n1)C(=O)OCC)C
Complexity: 240
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AD41348
ChemicalName:
Ethyl 1-methyl-4-nitroimidazole-2-carboxylate
CasNumber:
109012-23-9
MolecularFormula:
C7H9N3O4
MolecularWeight:
199.1641
MdlNumber:
MFCD03789110
Smiles:
[O-][N+](=O)c1cn(c(n1)C(=O)OCC)C
Complexity:
240
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
0.7
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Smiles: CCC1c2ccccc2N(c2c1cccc2)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCC1c2ccccc2N(c2c1cccc2)C
Complexity:
__
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O[C@H](C(c1ccccc1)(c1ccccc1)O)c1ccccc1
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Smiles:
O[C@H](C(c1ccccc1)(c1ccccc1)O)c1ccccc1
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Oc1ccc(cc1)/C=C/C(=O)c1ccc(cc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__