AE28196
1098340-27-2 | Methyl 4-(trifluoromethyl)-1h-indole-2-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE28196
ChemicalName
Methyl 4-(trifluoromethyl)-1h-indole-2-carboxylate
CasNumber
1098340-27-2
MolecularFormula
C11H8F3NO2
MolecularWeight
243.1819
MdlNumber
MFCD11655690
Smiles
COC(=O)c1cc2c([nH]1)cccc2C(F)(F)F
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.3
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CatalogNumber: AE28196
ChemicalName: Methyl 4-(trifluoromethyl)-1h-indole-2-carboxylate
CasNumber: 1098340-27-2
MolecularFormula: C11H8F3NO2
MolecularWeight: 243.1819
MdlNumber: MFCD11655690
Smiles: COC(=O)c1cc2c([nH]1)cccc2C(F)(F)F
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AE28196
ChemicalName:
Methyl 4-(trifluoromethyl)-1h-indole-2-carboxylate
CasNumber:
1098340-27-2
MolecularFormula:
C11H8F3NO2
MolecularWeight:
243.1819
MdlNumber:
MFCD11655690
Smiles:
COC(=O)c1cc2c([nH]1)cccc2C(F)(F)F
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.3
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Smiles: COC(=O)c1cc2c([nH]1)cccc2F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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Smiles:
COC(=O)c1cc2c([nH]1)cccc2F
Complexity:
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RotatableBondCount:
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Smiles: CCOc1cc(OCC)cc(c1)CCl
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CCOc1cc(OCC)cc(c1)CCl
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RotatableBondCount:
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Smiles: COC(=O)c1ccc(cc1)C(=O)C=CN(C)C
Complexity: __
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HeavyAtomCount: __
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HydrogenBondDonorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COC(=O)c1ccc(cc1)C(=O)C=CN(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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