AF87545
317356-27-7 | (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-hydroxymethylpyrrolidine
Manufacturer: A2B Chem
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CatalogNumber
AF87545
ChemicalName
(2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-hydroxymethylpyrrolidine
CasNumber
317356-27-7
MolecularFormula
C10H18FNO3
MolecularWeight
219.2532
MdlNumber
MFCD19440847
Smiles
OC[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)F
Complexity
239
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
2
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
1
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CatalogNumber: AF87545
ChemicalName: (2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-hydroxymethylpyrrolidine
CasNumber: 317356-27-7
MolecularFormula: C10H18FNO3
MolecularWeight: 219.2532
MdlNumber: MFCD19440847
Smiles: OC[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)F
Complexity: 239
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 1
CatalogNumber:
AF87545
ChemicalName:
(2S,4S)-1-(tert-Butoxycarbonyl)-4-fluoro-2-hydroxymethylpyrrolidine
CasNumber:
317356-27-7
MolecularFormula:
C10H18FNO3
MolecularWeight:
219.2532
MdlNumber:
MFCD19440847
Smiles:
OC[C@@H]1C[C@@H](CN1C(=O)OC(C)(C)C)F
Complexity:
239
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
1
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Smiles: N#Cc1ccc(cc1)c1[nH]cc(n1)C(F)(F)F
Complexity: __
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Smiles:
N#Cc1ccc(cc1)c1[nH]cc(n1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondDonorCount:
__
RotatableBondCount:
__
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__
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Smiles: C1=CC=C(C(=C1)C2=NC=C(N2)C(F)(F)F)Cl
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C1=CC=C(C(=C1)C2=NC=C(N2)C(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC2=C(ON=C2C=C1)C3=CC=C(C=C3)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__