AB42957
95713-52-3 | Marfey's reagent
Manufacturer: A2B Chem
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CatalogNumber
AB42957
ChemicalName
Marfey's reagent
CasNumber
95713-52-3
MolecularFormula
C9H9FN4O5
MolecularWeight
272.19
MdlNumber
MFCD00042049
Smiles
NC(=O)[C@@H](Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Complexity
382
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
1.6
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CatalogNumber: AB42957
ChemicalName: Marfey's reagent
CasNumber: 95713-52-3
MolecularFormula: C9H9FN4O5
MolecularWeight: 272.19
MdlNumber: MFCD00042049
Smiles: NC(=O)[C@@H](Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Complexity: 382
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB42957
ChemicalName:
Marfey's reagent
CasNumber:
95713-52-3
MolecularFormula:
C9H9FN4O5
MolecularWeight:
272.19
MdlNumber:
MFCD00042049
Smiles:
NC(=O)[C@@H](Nc1cc(F)c(cc1[N+](=O)[O-])[N+](=O)[O-])C
Complexity:
382
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
1.6
CatalogNumber: AB42958
ChemicalName: (S)-1-Boc-2-(aminomethyl)pyrrolidine
CasNumber: 119020-01-8
MolecularFormula: C10H20N2O2
MolecularWeight: 200.278
MdlNumber: MFCD03419257
Smiles: NC[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity: 211
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 0.7
CatalogNumber:
AB42958
ChemicalName:
(S)-1-Boc-2-(aminomethyl)pyrrolidine
CasNumber:
119020-01-8
MolecularFormula:
C10H20N2O2
MolecularWeight:
200.278
MdlNumber:
MFCD03419257
Smiles:
NC[C@@H]1CCCN1C(=O)OC(C)(C)C
Complexity:
211
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
0.7
CatalogNumber: AB42959
ChemicalName: Boc-L-Alaninol
CasNumber: 79069-13-9
MolecularFormula: C8H17NO3
MolecularWeight: 175.2255
MdlNumber: MFCD00043121
Smiles: OC[C@@H](NC(=O)OC(C)(C)C)C
Complexity: 151
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.7
CatalogNumber:
AB42959
ChemicalName:
Boc-L-Alaninol
CasNumber:
79069-13-9
MolecularFormula:
C8H17NO3
MolecularWeight:
175.2255
MdlNumber:
MFCD00043121
Smiles:
OC[C@@H](NC(=O)OC(C)(C)C)C
Complexity:
151
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.7
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Smiles: O=C[C@@H]1COC(O1)(C)C
Complexity: __
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Xlogp3: __
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Smiles:
O=C[C@@H]1COC(O1)(C)C
Complexity:
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DefinedAtomStereocenterCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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