AI45506
23351-08-8 | Methyl 4-(pyrrol-1-yl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AI45506
ChemicalName
Methyl 4-(pyrrol-1-yl)benzoate
CasNumber
23351-08-8
MolecularFormula
C12H11NO2
MolecularWeight
201.2212
MdlNumber
MFCD06010008
Smiles
COC(=O)c1ccc(cc1)n1cccc1
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.2
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CatalogNumber: AI45506
ChemicalName: Methyl 4-(pyrrol-1-yl)benzoate
CasNumber: 23351-08-8
MolecularFormula: C12H11NO2
MolecularWeight: 201.2212
MdlNumber: MFCD06010008
Smiles: COC(=O)c1ccc(cc1)n1cccc1
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.2
CatalogNumber:
AI45506
ChemicalName:
Methyl 4-(pyrrol-1-yl)benzoate
CasNumber:
23351-08-8
MolecularFormula:
C12H11NO2
MolecularWeight:
201.2212
MdlNumber:
MFCD06010008
Smiles:
COC(=O)c1ccc(cc1)n1cccc1
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.2
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Smiles: COc1ccc2c(c1)nc([nH]2)NCc1ccccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc2c(c1)nc([nH]2)NCc1ccccc1
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCOC(=O)c1cc2CCCCc2c(c1O)C(=O)OCC
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Smiles:
CCOC(=O)c1cc2CCCCc2c(c1O)C(=O)OCC
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Smiles: Clc1c(Cl)c(Cl)c2c(c1Cl)[nH]nn2
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Smiles:
Clc1c(Cl)c(Cl)c2c(c1Cl)[nH]nn2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
__