AF69500
35978-39-3 | 5-Phenylthieno[2,3-d]pyrimidin-4-one
Manufacturer: A2B Chem
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CatalogNumber
AF69500
ChemicalName
5-Phenylthieno[2,3-d]pyrimidin-4-one
CasNumber
35978-39-3
MolecularFormula
C12H8N2OS
MolecularWeight
228.2697
MdlNumber
MFCD00126441
Smiles
Oc1ncnc2c1c(cs2)c1ccccc1
Complexity
312
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.3
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CatalogNumber: AF69500
ChemicalName: 5-Phenylthieno[2,3-d]pyrimidin-4-one
CasNumber: 35978-39-3
MolecularFormula: C12H8N2OS
MolecularWeight: 228.2697
MdlNumber: MFCD00126441
Smiles: Oc1ncnc2c1c(cs2)c1ccccc1
Complexity: 312
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.3
CatalogNumber:
AF69500
ChemicalName:
5-Phenylthieno[2,3-d]pyrimidin-4-one
CasNumber:
35978-39-3
MolecularFormula:
C12H8N2OS
MolecularWeight:
228.2697
MdlNumber:
MFCD00126441
Smiles:
Oc1ncnc2c1c(cs2)c1ccccc1
Complexity:
312
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.3
CatalogNumber: AF69501
ChemicalName: 6-Chloro-5-fluoronicotinic acid
CasNumber: 38186-86-6
MolecularFormula: C6H3ClFNO2
MolecularWeight: 175.5449
MdlNumber: MFCD11226507
Smiles: OC(=O)c1cnc(c(c1)F)Cl
Complexity: 167
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AF69501
ChemicalName:
6-Chloro-5-fluoronicotinic acid
CasNumber:
38186-86-6
MolecularFormula:
C6H3ClFNO2
MolecularWeight:
175.5449
MdlNumber:
MFCD11226507
Smiles:
OC(=O)c1cnc(c(c1)F)Cl
Complexity:
167
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
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Smiles: C=CCn1cc[n+](c1)C.[Br-]
Complexity: __
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Smiles:
C=CCn1cc[n+](c1)C.[Br-]
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Smiles: BrC(=C)CN1CCCCC1
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Smiles:
BrC(=C)CN1CCCCC1
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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