AI35766
144061-16-5 | 2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AI35766
ChemicalName
2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CasNumber
144061-16-5
MolecularFormula
C11H6F3NO2S
MolecularWeight
273.231
MdlNumber
MFCD05865138
Smiles
OC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F
Complexity
316
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.4
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CatalogNumber: AI35766
ChemicalName: 2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CasNumber: 144061-16-5
MolecularFormula: C11H6F3NO2S
MolecularWeight: 273.231
MdlNumber: MFCD05865138
Smiles: OC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F
Complexity: 316
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.4
CatalogNumber:
AI35766
ChemicalName:
2-[4-(Trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylic acid
CasNumber:
144061-16-5
MolecularFormula:
C11H6F3NO2S
MolecularWeight:
273.231
MdlNumber:
MFCD05865138
Smiles:
OC(=O)c1csc(n1)c1ccc(cc1)C(F)(F)F
Complexity:
316
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.4
CatalogNumber: __
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Smiles: CCc1oc2c(n1)cc(cc2C)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CCc1oc2c(n1)cc(cc2C)[N+](=O)[O-]
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Smiles: [O-][N+](=O)c1cc2nc(oc2c(c1)C)C
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Smiles:
[O-][N+](=O)c1cc2nc(oc2c(c1)C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
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: COc1cc2c(cc1N)CN(C2=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc2c(cc1N)CN(C2=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__