AD59333
228422-49-9 | (S)-3-(4-Fluorophenyl)-beta-alaninol
Manufacturer: A2B Chem
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CatalogNumber
AD59333
ChemicalName
(S)-3-(4-Fluorophenyl)-beta-alaninol
CasNumber
228422-49-9
MolecularFormula
C9H12FNO
MolecularWeight
169.1961
MdlNumber
MFCD07773065
Smiles
OCC[C@@H](c1ccc(cc1)F)N
Complexity
124
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
0.6
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CatalogNumber: AD59333
ChemicalName: (S)-3-(4-Fluorophenyl)-beta-alaninol
CasNumber: 228422-49-9
MolecularFormula: C9H12FNO
MolecularWeight: 169.1961
MdlNumber: MFCD07773065
Smiles: OCC[C@@H](c1ccc(cc1)F)N
Complexity: 124
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 0.6
CatalogNumber:
AD59333
ChemicalName:
(S)-3-(4-Fluorophenyl)-beta-alaninol
CasNumber:
228422-49-9
MolecularFormula:
C9H12FNO
MolecularWeight:
169.1961
MdlNumber:
MFCD07773065
Smiles:
OCC[C@@H](c1ccc(cc1)F)N
Complexity:
124
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
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Smiles: COc1ccccc1N1CCN(CC1)CCC(C(=O)C1CCCCC1)(c1ccccc1)C
Complexity: __
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Smiles:
COc1ccccc1N1CCN(CC1)CCC(C(=O)C1CCCCC1)(c1ccccc1)C
Complexity:
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Smiles: CCCCCCc1ccsc1[Mg]Br
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Smiles:
CCCCCCc1ccsc1[Mg]Br
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HeavyAtomCount:
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HydrogenBondDonorCount:
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Smiles: O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)Nc1ccc(cc1)Oc1ccncc1
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(Nc1ccc(c(c1)C(F)(F)F)Cl)Nc1ccc(cc1)Oc1ccncc1
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__