AG12639
338451-90-4 | N-(5-Bromo-2-methylphenyl)-2,2,2-trifluoroacetamide
Manufacturer: A2B Chem
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CatalogNumber
AG12639
ChemicalName
N-(5-Bromo-2-methylphenyl)-2,2,2-trifluoroacetamide
CasNumber
338451-90-4
MolecularFormula
C9H7BrF3NO
MolecularWeight
282.0572
MdlNumber
MFCD00594558
Smiles
O=C(C(F)(F)F)Nc1cc(Br)ccc1C
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AG12639
ChemicalName: N-(5-Bromo-2-methylphenyl)-2,2,2-trifluoroacetamide
CasNumber: 338451-90-4
MolecularFormula: C9H7BrF3NO
MolecularWeight: 282.0572
MdlNumber: MFCD00594558
Smiles: O=C(C(F)(F)F)Nc1cc(Br)ccc1C
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AG12639
ChemicalName:
N-(5-Bromo-2-methylphenyl)-2,2,2-trifluoroacetamide
CasNumber:
338451-90-4
MolecularFormula:
C9H7BrF3NO
MolecularWeight:
282.0572
MdlNumber:
MFCD00594558
Smiles:
O=C(C(F)(F)F)Nc1cc(Br)ccc1C
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=C(SC(=C1C#N)N)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
C1=C(SC(=C1C#N)N)Cl
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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CatalogNumber: AG12646
ChemicalName: 1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber: 338747-41-4
MolecularFormula: C18H15NO4
MolecularWeight: 309.316
MdlNumber: MFCD01315710
Smiles: COc1ccc(cc1)Cn1cc(C(=O)O)c(=O)c2c1cccc2
Complexity: 493
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.4
CatalogNumber:
AG12646
ChemicalName:
1-(4-Methoxybenzyl)-4-oxo-1,4-dihydroquinoline-3-carboxylic acid
CasNumber:
338747-41-4
MolecularFormula:
C18H15NO4
MolecularWeight:
309.316
MdlNumber:
MFCD01315710
Smiles:
COc1ccc(cc1)Cn1cc(C(=O)O)c(=O)c2c1cccc2
Complexity:
493
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1cn(c2c1c(Br)ccc2)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1cn(c2c1c(Br)ccc2)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__