AD96223
845256-59-9 | Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AD96223
ChemicalName
Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
CasNumber
845256-59-9
MolecularFormula
C13H14FNO3
MolecularWeight
251.2536
MdlNumber
MFCD28016248
Smiles
O=C1CCN(CC1F)C(=O)OCc1ccccc1
Complexity
315
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
1.6
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CatalogNumber: AD96223
ChemicalName: Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
CasNumber: 845256-59-9
MolecularFormula: C13H14FNO3
MolecularWeight: 251.2536
MdlNumber: MFCD28016248
Smiles: O=C1CCN(CC1F)C(=O)OCc1ccccc1
Complexity: 315
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: 1.6
CatalogNumber:
AD96223
ChemicalName:
Benzyl 3-fluoro-4-oxopiperidine-1-carboxylate
CasNumber:
845256-59-9
MolecularFormula:
C13H14FNO3
MolecularWeight:
251.2536
MdlNumber:
MFCD28016248
Smiles:
O=C1CCN(CC1F)C(=O)OCc1ccccc1
Complexity:
315
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
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MolecularFormula:
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Smiles:
COc1ccccc1NC(=O)c1cc2ccccc2cc1OP(=O)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cc1ccc(cc1Cl)NCN1C(=O)c2c(C1=O)cccc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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MolecularFormula:
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Smiles:
Cc1ccc(cc1Cl)NCN1C(=O)c2c(C1=O)cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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UndefinedAtomStereocenterCount:
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Xlogp3:
__
CatalogNumber: AD96245
ChemicalName: (S)-1-[4-(Trifluoromethyl)phenyl]ethylamine hydrochloride
CasNumber: 84499-78-5
MolecularFormula: C9H11ClF3N
MolecularWeight: 225.6385
MdlNumber: MFCD11035901
Smiles: C[C@@H](c1ccc(cc1)C(F)(F)F)N.Cl
Complexity: 159
Covalently-bondedUnitCount: 2
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
RotatableBondCount: 1
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
AD96245
ChemicalName:
(S)-1-[4-(Trifluoromethyl)phenyl]ethylamine hydrochloride
CasNumber:
84499-78-5
MolecularFormula:
C9H11ClF3N
MolecularWeight:
225.6385
MdlNumber:
MFCD11035901
Smiles:
C[C@@H](c1ccc(cc1)C(F)(F)F)N.Cl
Complexity:
159
Covalently-bondedUnitCount:
2
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
__
Xlogp3:
__