AH59392
846048-15-5 | 5-Bromo-1,2-dihydro-1-methyl-2-oxo-nicotinic acid
Manufacturer: A2B Chem
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CatalogNumber
AH59392
ChemicalName
5-Bromo-1,2-dihydro-1-methyl-2-oxo-nicotinic acid
CasNumber
846048-15-5
MolecularFormula
C7H6BrNO3
MolecularWeight
232.0314
MdlNumber
MFCD17214399
Smiles
Brc1cn(C)c(=O)c(c1)C(=O)O
Complexity
306
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
1.1
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CatalogNumber: AH59392
ChemicalName: 5-Bromo-1,2-dihydro-1-methyl-2-oxo-nicotinic acid
CasNumber: 846048-15-5
MolecularFormula: C7H6BrNO3
MolecularWeight: 232.0314
MdlNumber: MFCD17214399
Smiles: Brc1cn(C)c(=O)c(c1)C(=O)O
Complexity: 306
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.1
CatalogNumber:
AH59392
ChemicalName:
5-Bromo-1,2-dihydro-1-methyl-2-oxo-nicotinic acid
CasNumber:
846048-15-5
MolecularFormula:
C7H6BrNO3
MolecularWeight:
232.0314
MdlNumber:
MFCD17214399
Smiles:
Brc1cn(C)c(=O)c(c1)C(=O)O
Complexity:
306
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.1
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Smiles: CC(C)(C)[Si](C)(C)OCC(CO)NCC1=CC=CC=C1
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Smiles:
CC(C)(C)[Si](C)(C)OCC(CO)NCC1=CC=CC=C1
Complexity:
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: O=C1[C@@H](N)CNc2c(N1C)cccc2
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HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C1[C@@H](N)CNc2c(N1C)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
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