AI55714
736970-80-2 | 2-[(2-Chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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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
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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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
HydrogenBondDonorCount: 1
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
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
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MolecularFormula: __
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Smiles: COC(=O)c1coc(n1)Cc1c(Cl)cccc1Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COC(=O)c1coc(n1)Cc1c(Cl)cccc1Cl
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Clc1cccc(c1Cc1occ(n1)C(=O)O)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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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:
Clc1cccc(c1Cc1occ(n1)C(=O)O)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
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Smiles: CC1(C)OB(OC1(C)C)C=Cc1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC1(C)OB(OC1(C)C)C=Cc1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__