AC44451
786654-97-5 | 2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
Manufacturer: A2B Chem
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CatalogNumber
AC44451
ChemicalName
2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
CasNumber
786654-97-5
MolecularFormula
C12H10BrNO2S
MolecularWeight
312.1823
MdlNumber
MFCD06738338
Smiles
CCOC(=O)c1csc(n1)c1cccc(c1)Br
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
3.9
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CatalogNumber: AC44451
ChemicalName: 2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
CasNumber: 786654-97-5
MolecularFormula: C12H10BrNO2S
MolecularWeight: 312.1823
MdlNumber: MFCD06738338
Smiles: CCOC(=O)c1csc(n1)c1cccc(c1)Br
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.9
CatalogNumber:
AC44451
ChemicalName:
2-(3-Bromo-phenyl)-thiazole-4-carboxylic acid ethyl ester
CasNumber:
786654-97-5
MolecularFormula:
C12H10BrNO2S
MolecularWeight:
312.1823
MdlNumber:
MFCD06738338
Smiles:
CCOC(=O)c1csc(n1)c1cccc(c1)Br
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.9
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MolecularFormula: __
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Smiles: O=C1CC(C)(C)CC(=O)C1SSC1C(=O)CC(CC1=O)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
O=C1CC(C)(C)CC(=O)C1SSC1C(=O)CC(CC1=O)(C)C
Complexity:
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HeavyAtomCount:
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Smiles: NCCc1ccc(c(c1)C)Br
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Smiles:
NCCc1ccc(c(c1)C)Br
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: OC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)c1ccccc1
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HeavyAtomCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
OC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__