AI39499
178817-13-5 | 2-(4-Methylthiophenyl)phenol
Manufacturer: A2B Chem
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CatalogNumber
AI39499
ChemicalName
2-(4-Methylthiophenyl)phenol
CasNumber
178817-13-5
MolecularFormula
C13H12OS
MolecularWeight
216.2988
MdlNumber
MFCD06802845
Smiles
CSc1ccc(cc1)c1ccccc1O
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.6
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CatalogNumber: AI39499
ChemicalName: 2-(4-Methylthiophenyl)phenol
CasNumber: 178817-13-5
MolecularFormula: C13H12OS
MolecularWeight: 216.2988
MdlNumber: MFCD06802845
Smiles: CSc1ccc(cc1)c1ccccc1O
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.6
CatalogNumber:
AI39499
ChemicalName:
2-(4-Methylthiophenyl)phenol
CasNumber:
178817-13-5
MolecularFormula:
C13H12OS
MolecularWeight:
216.2988
MdlNumber:
MFCD06802845
Smiles:
CSc1ccc(cc1)c1ccccc1O
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.6
CatalogNumber: AI39500
ChemicalName: methyl 3-bromo-6-acetamidopyridine-2-carboxylate
CasNumber: 178876-85-2
MolecularFormula: C9H9BrN2O3
MolecularWeight: 273.0834
MdlNumber: MFCD27578199
Smiles: COC(=O)c1nc(ccc1Br)NC(=O)C
Complexity: 260
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1.2
CatalogNumber:
AI39500
ChemicalName:
methyl 3-bromo-6-acetamidopyridine-2-carboxylate
CasNumber:
178876-85-2
MolecularFormula:
C9H9BrN2O3
MolecularWeight:
273.0834
MdlNumber:
MFCD27578199
Smiles:
COC(=O)c1nc(ccc1Br)NC(=O)C
Complexity:
260
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1.2
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Smiles: COc1c(OC)cccc1c1ncc[nH]1
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Smiles:
COc1c(OC)cccc1c1ncc[nH]1
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Smiles: NC(=O)c1ccc2c(c1)nccc2Cl
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Smiles:
NC(=O)c1ccc2c(c1)nccc2Cl
Complexity:
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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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