AI55713
736970-78-8 | Ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI55713
ChemicalName
Ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CasNumber
736970-78-8
MolecularFormula
C13H12ClNO2S
MolecularWeight
281.7579
MdlNumber
MFCD25694061
Smiles
CCOC(=O)c1csc(n1)Cc1ccccc1Cl
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
5
Xlogp3
4.1
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CatalogNumber: AI55713
ChemicalName: Ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CasNumber: 736970-78-8
MolecularFormula: C13H12ClNO2S
MolecularWeight: 281.7579
MdlNumber: MFCD25694061
Smiles: CCOC(=O)c1csc(n1)Cc1ccccc1Cl
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 5
Xlogp3: 4.1
CatalogNumber:
AI55713
ChemicalName:
Ethyl 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate
CasNumber:
736970-78-8
MolecularFormula:
C13H12ClNO2S
MolecularWeight:
281.7579
MdlNumber:
MFCD25694061
Smiles:
CCOC(=O)c1csc(n1)Cc1ccccc1Cl
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
5
Xlogp3:
4.1
CatalogNumber: AI55714
ChemicalName: 2-[(2-Chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CasNumber: 736970-80-2
MolecularFormula: C11H8ClNO2S
MolecularWeight: 253.7047
MdlNumber: MFCD14539665
Smiles: Clc1ccccc1Cc1scc(n1)C(=O)O
Complexity: 264
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AI55714
ChemicalName:
2-[(2-Chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
CasNumber:
736970-80-2
MolecularFormula:
C11H8ClNO2S
MolecularWeight:
253.7047
MdlNumber:
MFCD14539665
Smiles:
Clc1ccccc1Cc1scc(n1)C(=O)O
Complexity:
264
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
3.4
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Smiles: COC(=O)c1coc(n1)Cc1c(Cl)cccc1Cl
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Smiles:
COC(=O)c1coc(n1)Cc1c(Cl)cccc1Cl
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Smiles: Clc1cccc(c1Cc1occ(n1)C(=O)O)Cl
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Smiles:
Clc1cccc(c1Cc1occ(n1)C(=O)O)Cl
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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