AH58405
847139-22-4 | 3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AH58405
ChemicalName
3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
CasNumber
847139-22-4
MolecularFormula
C9H13N3O4
MolecularWeight
227.2172
MdlNumber
MFCD23115360
Smiles
[O-][N+](=O)c1cn(nc1C)C(=O)OC(C)(C)C
Complexity
294
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AH58405
ChemicalName: 3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
CasNumber: 847139-22-4
MolecularFormula: C9H13N3O4
MolecularWeight: 227.2172
MdlNumber: MFCD23115360
Smiles: [O-][N+](=O)c1cn(nc1C)C(=O)OC(C)(C)C
Complexity: 294
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AH58405
ChemicalName:
3-Methyl-4-nitro-pyrazole-1-carboxylic acid tert-butyl ester
CasNumber:
847139-22-4
MolecularFormula:
C9H13N3O4
MolecularWeight:
227.2172
MdlNumber:
MFCD23115360
Smiles:
[O-][N+](=O)c1cn(nc1C)C(=O)OC(C)(C)C
Complexity:
294
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
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Smiles: Ic1ccc(c(c1)C(=O)C)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
Ic1ccc(c(c1)C(=O)C)N
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)c1cnoc1CCl
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Smiles:
CCOC(=O)c1cnoc1CCl
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__
RotatableBondCount:
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Smiles: N#CCNc1cccc(c1)C(=O)OC
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CCNc1cccc(c1)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__