AB47837
67330-25-0 | Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AB47837
ChemicalName
Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
CasNumber
67330-25-0
MolecularFormula
C18H18F3NO2
MolecularWeight
337.3362
MdlNumber
MFCD00866001
Smiles
CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Complexity
400
Covalently-bondedUnitCount
1
HeavyAtomCount
24
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
7
Xlogp3
6.8
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CatalogNumber: AB47837
ChemicalName: Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
CasNumber: 67330-25-0
MolecularFormula: C18H18F3NO2
MolecularWeight: 337.3362
MdlNumber: MFCD00866001
Smiles: CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 24
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 7
Xlogp3: 6.8
CatalogNumber:
AB47837
ChemicalName:
Butyl 2-((3-(trifluoromethyl)phenyl)amino)benzoate
CasNumber:
67330-25-0
MolecularFormula:
C18H18F3NO2
MolecularWeight:
337.3362
MdlNumber:
MFCD00866001
Smiles:
CCCCOC(=O)c1ccccc1Nc1cccc(c1)C(F)(F)F
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
24
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
7
Xlogp3:
6.8
CatalogNumber: AB47838
ChemicalName: 6-Methylpyrazine-2-carboxylic acid
CasNumber: 5521-61-9
MolecularFormula: C6H6N2O2
MolecularWeight: 138.124
MdlNumber: MFCD08705756
Smiles: Cc1cncc(n1)C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB47838
ChemicalName:
6-Methylpyrazine-2-carboxylic acid
CasNumber:
5521-61-9
MolecularFormula:
C6H6N2O2
MolecularWeight:
138.124
MdlNumber:
MFCD08705756
Smiles:
Cc1cncc(n1)C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
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Smiles: C1CCN1
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Smiles:
C1CCN1
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Smiles: NCCc1cc(F)cc(c1)F
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Smiles:
NCCc1cc(F)cc(c1)F
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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