AD74137
120732-04-9 | Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD74137
ChemicalName
Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
CasNumber
120732-04-9
MolecularFormula
C8H8F3NO2
MolecularWeight
207.14982959999998
MdlNumber
MFCD09838835
Smiles
CCOC(=O)c1c[nH]cc1C(F)(F)F
Complexity
217
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.7
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CatalogNumber: AD74137
ChemicalName: Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
CasNumber: 120732-04-9
MolecularFormula: C8H8F3NO2
MolecularWeight: 207.14982959999998
MdlNumber: MFCD09838835
Smiles: CCOC(=O)c1c[nH]cc1C(F)(F)F
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.7
CatalogNumber:
AD74137
ChemicalName:
Ethyl 4-(trifluoromethyl)-1H-pyrrole-3-carboxylate
CasNumber:
120732-04-9
MolecularFormula:
C8H8F3NO2
MolecularWeight:
207.14982959999998
MdlNumber:
MFCD09838835
Smiles:
CCOC(=O)c1c[nH]cc1C(F)(F)F
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.7
CatalogNumber: __
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MolecularFormula: __
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Smiles: Oc1ccc(cc1)c1cccc(c1O)O
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Oc1ccc(cc1)c1cccc(c1O)O
Complexity:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: [S-]C(=S)NCC(NC(=S)[S-])C.[Zn+2]
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
[S-]C(=S)NCC(NC(=S)[S-])C.[Zn+2]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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ChemicalName: __
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Smiles: CCOC(=O)c1cnc2c(c1)CCNC2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1cnc2c(c1)CCNC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__