AI07452
1086380-14-4 | 2-[(2-Bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI07452
ChemicalName
2-[(2-Bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CasNumber
1086380-14-4
MolecularFormula
C11H8BrNO2S
MolecularWeight
298.1557
MdlNumber
MFCD09258847
Smiles
Brc1ccccc1Cc1scc(n1)C(=O)O
Complexity
264
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AI07452
ChemicalName: 2-[(2-Bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CasNumber: 1086380-14-4
MolecularFormula: C11H8BrNO2S
MolecularWeight: 298.1557
MdlNumber: MFCD09258847
Smiles: Brc1ccccc1Cc1scc(n1)C(=O)O
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AI07452
ChemicalName:
2-[(2-Bromophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CasNumber:
1086380-14-4
MolecularFormula:
C11H8BrNO2S
MolecularWeight:
298.1557
MdlNumber:
MFCD09258847
Smiles:
Brc1ccccc1Cc1scc(n1)C(=O)O
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: __
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MolecularFormula: __
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Smiles: Brc1ccnc(n1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Brc1ccnc(n1)c1ccccc1
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: Brc1cncc(n1)C1CC1
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Smiles:
Brc1cncc(n1)C1CC1
Complexity:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(c1ccc(nn1)Br)(C)C
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ChemicalName:
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CasNumber:
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MolecularFormula:
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Smiles:
CC(c1ccc(nn1)Br)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
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Xlogp3:
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