AA39452
130530-01-7 | 1-Methyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AA39452
ChemicalName
1-Methyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid
CasNumber
130530-01-7
MolecularFormula
C7H6F3NO2
MolecularWeight
193.1232
MdlNumber
MFCD12025862
Smiles
Cn1cc(c(c1)C(F)(F)F)C(=O)O
Complexity
216
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AA39452
ChemicalName: 1-Methyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid
CasNumber: 130530-01-7
MolecularFormula: C7H6F3NO2
MolecularWeight: 193.1232
MdlNumber: MFCD12025862
Smiles: Cn1cc(c(c1)C(F)(F)F)C(=O)O
Complexity: 216
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AA39452
ChemicalName:
1-Methyl-4-(trifluoromethyl)-1h-pyrrole-3-carboxylic acid
CasNumber:
130530-01-7
MolecularFormula:
C7H6F3NO2
MolecularWeight:
193.1232
MdlNumber:
MFCD12025862
Smiles:
Cn1cc(c(c1)C(F)(F)F)C(=O)O
Complexity:
216
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
CatalogNumber: __
ChemicalName: __
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MolecularFormula: __
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Smiles: CCOC(=O)c1[nH]ccc1n1cccc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOC(=O)c1[nH]ccc1n1cccc1
Complexity:
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HeavyAtomCount:
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RotatableBondCount:
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MolecularFormula: __
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Smiles: CNS(=O)(=O)C=Cc1ccc2c(c1)cc[nH]2
Complexity: __
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HeavyAtomCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CNS(=O)(=O)C=Cc1ccc2c(c1)cc[nH]2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: CC(=O)Cc1ccc(cc1Br)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
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:
CC(=O)Cc1ccc(cc1Br)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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