AI09766
115311-25-6 | 2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI09766
ChemicalName
2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CasNumber
115311-25-6
MolecularFormula
C11H9NO2S
MolecularWeight
219.2597
MdlNumber
MFCD07376333
Smiles
Cc1ccccc1c1scc(n1)C(=O)O
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.8
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CatalogNumber: AI09766
ChemicalName: 2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CasNumber: 115311-25-6
MolecularFormula: C11H9NO2S
MolecularWeight: 219.2597
MdlNumber: MFCD07376333
Smiles: Cc1ccccc1c1scc(n1)C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.8
CatalogNumber:
AI09766
ChemicalName:
2-(2-Methylphenyl)-1,3-thiazole-4-carboxylic acid
CasNumber:
115311-25-6
MolecularFormula:
C11H9NO2S
MolecularWeight:
219.2597
MdlNumber:
MFCD07376333
Smiles:
Cc1ccccc1c1scc(n1)C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.8
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Smiles: OC(=O)c1csc(n1)c1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularWeight:
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Smiles:
OC(=O)c1csc(n1)c1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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Smiles: [O-]C(=O)c1nn(cc1O)c1ccccc1C(F)(F)F.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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:
[O-]C(=O)c1nn(cc1O)c1ccccc1C(F)(F)F.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=C(N1CCNCC1)NCc1ccccc1.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCNCC1)NCc1ccccc1.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__