AG71403
6314-22-3 | Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AG71403
ChemicalName
Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CasNumber
6314-22-3
MolecularFormula
C11H15NO3
MolecularWeight
209.2417
MdlNumber
MFCD00227068
Smiles
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)C
Complexity
265
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.7
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CatalogNumber: AG71403
ChemicalName: Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CasNumber: 6314-22-3
MolecularFormula: C11H15NO3
MolecularWeight: 209.2417
MdlNumber: MFCD00227068
Smiles: CCOC(=O)c1c(C)[nH]c(c1C)C(=O)C
Complexity: 265
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.7
CatalogNumber:
AG71403
ChemicalName:
Ethyl 5-acetyl-2,4-dimethyl-1h-pyrrole-3-carboxylate
CasNumber:
6314-22-3
MolecularFormula:
C11H15NO3
MolecularWeight:
209.2417
MdlNumber:
MFCD00227068
Smiles:
CCOC(=O)c1c(C)[nH]c(c1C)C(=O)C
Complexity:
265
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(Oc1ccc(cc1)/C=C/C(=O)O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
CC(Oc1ccc(cc1)/C=C/C(=O)O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG71405
ChemicalName: Methyl 2,3-dichloroisonicotinate
CasNumber: 603124-78-3
MolecularFormula: C7H5Cl2NO2
MolecularWeight: 206.0261
MdlNumber: MFCD09951946
Smiles: COC(=O)c1ccnc(c1Cl)Cl
Complexity: 177
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.3
CatalogNumber:
AG71405
ChemicalName:
Methyl 2,3-dichloroisonicotinate
CasNumber:
603124-78-3
MolecularFormula:
C7H5Cl2NO2
MolecularWeight:
206.0261
MdlNumber:
MFCD09951946
Smiles:
COC(=O)c1ccnc(c1Cl)Cl
Complexity:
177
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)CCC1CCNCC1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)CCC1CCNCC1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__