AB56324
70-00-8 | Trifluridine
Manufacturer: A2B Chem
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CatalogNumber
AB56324
ChemicalName
Trifluridine
CasNumber
70-00-8
MolecularFormula
C10H11F3N2O5
MolecularWeight
296.1999
MdlNumber
MFCD00006534
Smiles
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Complexity
464
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
3
HeavyAtomCount
20
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.5
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CatalogNumber: AB56324
ChemicalName: Trifluridine
CasNumber: 70-00-8
MolecularFormula: C10H11F3N2O5
MolecularWeight: 296.1999
MdlNumber: MFCD00006534
Smiles: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Complexity: 464
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 3
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.5
CatalogNumber:
AB56324
ChemicalName:
Trifluridine
CasNumber:
70-00-8
MolecularFormula:
C10H11F3N2O5
MolecularWeight:
296.1999
MdlNumber:
MFCD00006534
Smiles:
OC[C@H]1O[C@H](C[C@@H]1O)n1cc(c(=O)[nH]c1=O)C(F)(F)F
Complexity:
464
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
3
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.5
CatalogNumber: AB56325
ChemicalName: 1-(3-Bromo-4-methylphenylsulfonyl)piperidine
CasNumber: 850429-73-1
MolecularFormula: C12H16BrNO2S
MolecularWeight: 318.2299
MdlNumber: MFCD07363838
Smiles: Cc1ccc(cc1Br)S(=O)(=O)N1CCCCC1
Complexity: 346
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB56325
ChemicalName:
1-(3-Bromo-4-methylphenylsulfonyl)piperidine
CasNumber:
850429-73-1
MolecularFormula:
C12H16BrNO2S
MolecularWeight:
318.2299
MdlNumber:
MFCD07363838
Smiles:
Cc1ccc(cc1Br)S(=O)(=O)N1CCCCC1
Complexity:
346
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(cc(c1)S(=O)(=O)n1ccnc1C)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(cc(c1)S(=O)(=O)n1ccnc1C)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB56327
ChemicalName: 1-(3-Bromo-5-trifluoromethylphenylsulfonyl)piperidine
CasNumber: 951884-69-8
MolecularFormula: C12H13BrF3NO2S
MolecularWeight: 372.2013
MdlNumber: MFCD09801013
Smiles: Brc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCCCC1
Complexity: 429
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AB56327
ChemicalName:
1-(3-Bromo-5-trifluoromethylphenylsulfonyl)piperidine
CasNumber:
951884-69-8
MolecularFormula:
C12H13BrF3NO2S
MolecularWeight:
372.2013
MdlNumber:
MFCD09801013
Smiles:
Brc1cc(cc(c1)C(F)(F)F)S(=O)(=O)N1CCCCC1
Complexity:
429
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.5