AB51035
486460-00-8 | Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB51035
ChemicalName
Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CasNumber
486460-00-8
MolecularFormula
C15H18F3NO4
MolecularWeight
333.3029
MdlNumber
MFCD06659147
Smiles
OC(=O)C[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
Complexity
427
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
23
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
7
Xlogp3
2.7
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CatalogNumber: AB51035
ChemicalName: Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CasNumber: 486460-00-8
MolecularFormula: C15H18F3NO4
MolecularWeight: 333.3029
MdlNumber: MFCD06659147
Smiles: OC(=O)C[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
Complexity: 427
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 7
Xlogp3: 2.7
CatalogNumber:
AB51035
ChemicalName:
Boc-(R)-3-amino-4-(2,4,5-trifluorophenyl)butanoic acid
CasNumber:
486460-00-8
MolecularFormula:
C15H18F3NO4
MolecularWeight:
333.3029
MdlNumber:
MFCD06659147
Smiles:
OC(=O)C[C@@H](Cc1cc(F)c(cc1F)F)NC(=O)OC(C)(C)C
Complexity:
427
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
7
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cccc(c1c1ccccc1Br)Br
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
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MdlNumber:
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Smiles:
Brc1cccc(c1c1ccccc1Br)Br
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCc1cccc(c1)OC
Complexity: 95.3
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCc1cccc(c1)OC
Complexity:
95.3
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]([C@H]([C@@H]([C@H](CO)O)O)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__