AI52253
54605-72-0 | 1-Phenyl-1H-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI52253
ChemicalName
1-Phenyl-1H-pyrazole-4-carbaldehyde
CasNumber
54605-72-0
MolecularFormula
C10H8N2O
MolecularWeight
172.1833
MdlNumber
MFCD28969563
Smiles
O=Cc1cnn(c1)c1ccccc1
Complexity
178
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
1.4
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CatalogNumber: AI52253
ChemicalName: 1-Phenyl-1H-pyrazole-4-carbaldehyde
CasNumber: 54605-72-0
MolecularFormula: C10H8N2O
MolecularWeight: 172.1833
MdlNumber: MFCD28969563
Smiles: O=Cc1cnn(c1)c1ccccc1
Complexity: 178
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 1.4
CatalogNumber:
AI52253
ChemicalName:
1-Phenyl-1H-pyrazole-4-carbaldehyde
CasNumber:
54605-72-0
MolecularFormula:
C10H8N2O
MolecularWeight:
172.1833
MdlNumber:
MFCD28969563
Smiles:
O=Cc1cnn(c1)c1ccccc1
Complexity:
178
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
1.4
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Smiles: O=Cc1c(C)nn(c1C)c1ccc(cc1)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
O=Cc1c(C)nn(c1C)c1ccc(cc1)Cl
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=N)c1cccs1.Cl
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Smiles:
CCOC(=N)c1cccs1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: CCOC(=O)C1(CC1)C2(CC2)N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CCOC(=O)C1(CC1)C2(CC2)N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__