AA41367
13138-73-3 | Methyl 5-nitro-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA41367
ChemicalName
Methyl 5-nitro-1H-pyrrole-2-carboxylate
CasNumber
13138-73-3
MolecularFormula
C6H6N2O4
MolecularWeight
170.1228
MdlNumber
MFCD09743413
Smiles
[O-][N+](=O)c1ccc([nH]1)C(=O)OC
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
1.1
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CatalogNumber: AA41367
ChemicalName: Methyl 5-nitro-1H-pyrrole-2-carboxylate
CasNumber: 13138-73-3
MolecularFormula: C6H6N2O4
MolecularWeight: 170.1228
MdlNumber: MFCD09743413
Smiles: [O-][N+](=O)c1ccc([nH]1)C(=O)OC
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 1.1
CatalogNumber:
AA41367
ChemicalName:
Methyl 5-nitro-1H-pyrrole-2-carboxylate
CasNumber:
13138-73-3
MolecularFormula:
C6H6N2O4
MolecularWeight:
170.1228
MdlNumber:
MFCD09743413
Smiles:
[O-][N+](=O)c1ccc([nH]1)C(=O)OC
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
1.1
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MolecularFormula: __
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Smiles: [O-][N+](=O)c1csc(c1)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
[O-][N+](=O)c1csc(c1)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: NC(=O)c1cc(ccc1C(=O)N)[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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Smiles:
NC(=O)c1cc(ccc1C(=O)N)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Cc1cc(c2c(c1N)cccc2)c1cc(C)c(c2c1cccc2)N
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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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:
Cc1cc(c2c(c1N)cccc2)c1cc(C)c(c2c1cccc2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__