AD54369
28077-41-0 | 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AD54369
ChemicalName
3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CasNumber
28077-41-0
MolecularFormula
C11H9NO2S
MolecularWeight
219.2597
MdlNumber
MFCD02682065
Smiles
Cc1scc(n1)c1cccc(c1)C(=O)O
Complexity
247
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AD54369
ChemicalName: 3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CasNumber: 28077-41-0
MolecularFormula: C11H9NO2S
MolecularWeight: 219.2597
MdlNumber: MFCD02682065
Smiles: Cc1scc(n1)c1cccc(c1)C(=O)O
Complexity: 247
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AD54369
ChemicalName:
3-(2-Methyl-1,3-thiazol-4-yl)benzoic acid
CasNumber:
28077-41-0
MolecularFormula:
C11H9NO2S
MolecularWeight:
219.2597
MdlNumber:
MFCD02682065
Smiles:
Cc1scc(n1)c1cccc(c1)C(=O)O
Complexity:
247
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: O=C(OC(C)(C)C)NN=Cc1ccc(cn1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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Smiles:
O=C(OC(C)(C)C)NN=Cc1ccc(cn1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: Cn1ccc2c1c(Br)ccc2
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Smiles:
Cn1ccc2c1c(Br)ccc2
Complexity:
__
Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: O=Cc1[nH]c(cc1C)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1[nH]c(cc1C)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__