AB49510
225920-05-8 | (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
Manufacturer: A2B Chem
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CatalogNumber
AB49510
ChemicalName
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
CasNumber
225920-05-8
MolecularFormula
C10H8F6O
MolecularWeight
258.1603
MdlNumber
MFCD03093011
Smiles
C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Complexity
237
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.2
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CatalogNumber: AB49510
ChemicalName: (S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
CasNumber: 225920-05-8
MolecularFormula: C10H8F6O
MolecularWeight: 258.1603
MdlNumber: MFCD03093011
Smiles: C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Complexity: 237
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.2
CatalogNumber:
AB49510
ChemicalName:
(S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
CasNumber:
225920-05-8
MolecularFormula:
C10H8F6O
MolecularWeight:
258.1603
MdlNumber:
MFCD03093011
Smiles:
C[C@@H](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Complexity:
237
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.2
CatalogNumber: AB49511
ChemicalName: 2-Ethynylpyrimidine
CasNumber: 37972-24-0
MolecularFormula: C6H4N2
MolecularWeight: 104.10936000000001
MdlNumber: MFCD10698134
Smiles: C#Cc1ncccn1
Complexity: 105
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 8
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: -0.2
CatalogNumber:
AB49511
ChemicalName:
2-Ethynylpyrimidine
CasNumber:
37972-24-0
MolecularFormula:
C6H4N2
MolecularWeight:
104.10936000000001
MdlNumber:
MFCD10698134
Smiles:
C#Cc1ncccn1
Complexity:
105
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
8
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
-0.2
CatalogNumber: AB49512
ChemicalName: 4-(Trifluoromethyl)pyridine
CasNumber: 3796-24-5
MolecularFormula: C6H4F3N
MolecularWeight: 147.0979
MdlNumber: MFCD00153289
Smiles: FC(c1ccncc1)(F)F
Complexity: 104
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.7
CatalogNumber:
AB49512
ChemicalName:
4-(Trifluoromethyl)pyridine
CasNumber:
3796-24-5
MolecularFormula:
C6H4F3N
MolecularWeight:
147.0979
MdlNumber:
MFCD00153289
Smiles:
FC(c1ccncc1)(F)F
Complexity:
104
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=CCCC(=O)O
Complexity: 76.1
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=CCCC(=O)O
Complexity:
76.1
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8