AI31713
1351479-04-3 | Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI31713
ChemicalName
Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CasNumber
1351479-04-3
MolecularFormula
C13H12BrNO2S
MolecularWeight
326.2089
MdlNumber
MFCD20526238
Smiles
CCOC(=O)c1csc(n1)Cc1ccccc1Br
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
4.2
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CatalogNumber: AI31713
ChemicalName: Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CasNumber: 1351479-04-3
MolecularFormula: C13H12BrNO2S
MolecularWeight: 326.2089
MdlNumber: MFCD20526238
Smiles: CCOC(=O)c1csc(n1)Cc1ccccc1Br
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 4.2
CatalogNumber:
AI31713
ChemicalName:
Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate
CasNumber:
1351479-04-3
MolecularFormula:
C13H12BrNO2S
MolecularWeight:
326.2089
MdlNumber:
MFCD20526238
Smiles:
CCOC(=O)c1csc(n1)Cc1ccccc1Br
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc(ccc1CS(=O)(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity: 470
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
Fc1cc(ccc1CS(=O)(=O)C)B1OC(C(O1)(C)C)(C)C
Complexity:
470
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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MolecularFormula: __
MolecularWeight: __
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Smiles: CSc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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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:
CSc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)Cc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity: 397
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)Cc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Complexity:
397
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__