AC34347
821767-61-7 | tert-Butyl 4-formyl-1h-pyrazole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AC34347
ChemicalName
tert-Butyl 4-formyl-1h-pyrazole-1-carboxylate
CasNumber
821767-61-7
MolecularFormula
C9H12N2O3
MolecularWeight
196.2032
MdlNumber
MFCD19707636
Smiles
O=Cc1cnn(c1)C(=O)OC(C)(C)C
Complexity
235
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AC34347
ChemicalName: tert-Butyl 4-formyl-1h-pyrazole-1-carboxylate
CasNumber: 821767-61-7
MolecularFormula: C9H12N2O3
MolecularWeight: 196.2032
MdlNumber: MFCD19707636
Smiles: O=Cc1cnn(c1)C(=O)OC(C)(C)C
Complexity: 235
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AC34347
ChemicalName:
tert-Butyl 4-formyl-1h-pyrazole-1-carboxylate
CasNumber:
821767-61-7
MolecularFormula:
C9H12N2O3
MolecularWeight:
196.2032
MdlNumber:
MFCD19707636
Smiles:
O=Cc1cnn(c1)C(=O)OC(C)(C)C
Complexity:
235
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
1
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Smiles: ClCc1snnc1C
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HydrogenBondAcceptorCount: __
RotatableBondCount: __
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Smiles:
ClCc1snnc1C
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: C1=CC(=CN=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O
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Smiles:
C1=CC(=CN=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
__
Xlogp3:
__
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Smiles: CC(=O)c1c(C)n(c2c1nnc1c2cccc1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1c(C)n(c2c1nnc1c2cccc1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__