AD84613
89409-89-2 | Ethyl 4-(4-cyanophenyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AD84613
ChemicalName
Ethyl 4-(4-cyanophenyl)benzoate
CasNumber
89409-89-2
MolecularFormula
C16H13NO2
MolecularWeight
251.2799
MdlNumber
MFCD01319587
Smiles
CCOC(=O)c1ccc(cc1)c1ccc(cc1)C#N
Complexity
341
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.5
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CatalogNumber: AD84613
ChemicalName: Ethyl 4-(4-cyanophenyl)benzoate
CasNumber: 89409-89-2
MolecularFormula: C16H13NO2
MolecularWeight: 251.2799
MdlNumber: MFCD01319587
Smiles: CCOC(=O)c1ccc(cc1)c1ccc(cc1)C#N
Complexity: 341
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.5
CatalogNumber:
AD84613
ChemicalName:
Ethyl 4-(4-cyanophenyl)benzoate
CasNumber:
89409-89-2
MolecularFormula:
C16H13NO2
MolecularWeight:
251.2799
MdlNumber:
MFCD01319587
Smiles:
CCOC(=O)c1ccc(cc1)c1ccc(cc1)C#N
Complexity:
341
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.5
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Smiles: Cc1cc(C)nc(=O)n1CCN
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Cc1cc(C)nc(=O)n1CCN
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cccc2c1c(c[nH]2)C(=N)N
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Smiles:
COc1cccc2c1c(c[nH]2)C(=N)N
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: NC(=N)c1c(C)[nH]c2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)c1c(C)[nH]c2c1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__