AF73595
3284-47-7 | Ethyl 3-methyl-1H-pyrrole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF73595
ChemicalName
Ethyl 3-methyl-1H-pyrrole-2-carboxylate
CasNumber
3284-47-7
MolecularFormula
C8H11NO2
MolecularWeight
153.1784
MdlNumber
MFCD01006747
Smiles
CCOC(=O)c1[nH]ccc1C
Complexity
147
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AF73595
ChemicalName: Ethyl 3-methyl-1H-pyrrole-2-carboxylate
CasNumber: 3284-47-7
MolecularFormula: C8H11NO2
MolecularWeight: 153.1784
MdlNumber: MFCD01006747
Smiles: CCOC(=O)c1[nH]ccc1C
Complexity: 147
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AF73595
ChemicalName:
Ethyl 3-methyl-1H-pyrrole-2-carboxylate
CasNumber:
3284-47-7
MolecularFormula:
C8H11NO2
MolecularWeight:
153.1784
MdlNumber:
MFCD01006747
Smiles:
CCOC(=O)c1[nH]ccc1C
Complexity:
147
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.6
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Smiles: COC(=O)C(c1ccc(cc1)Cl)N.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)C(c1ccc(cc1)Cl)N.Cl
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)F
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Smiles:
O=C(Nc1ccc(cc1)F)Nc1ccc(cc1)F
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: N#Cc1cc2c([nH]1)cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cc2c([nH]1)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__