AA98804
183070-41-9 | Cbz-L-Tyrosine benzyl ester triflate
Manufacturer: A2B Chem
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CatalogNumber
AA98804
ChemicalName
Cbz-L-Tyrosine benzyl ester triflate
CasNumber
183070-41-9
MolecularFormula
C25H22F3NO7S
MolecularWeight
537.5049
MdlNumber
MFCD16295051
Smiles
O=C(N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)OCc1ccccc1
Complexity
826
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
37
HydrogenBondAcceptorCount
10
HydrogenBondDonorCount
1
RotatableBondCount
12
Xlogp3
5.6
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CatalogNumber: AA98804
ChemicalName: Cbz-L-Tyrosine benzyl ester triflate
CasNumber: 183070-41-9
MolecularFormula: C25H22F3NO7S
MolecularWeight: 537.5049
MdlNumber: MFCD16295051
Smiles: O=C(N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)OCc1ccccc1
Complexity: 826
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 37
HydrogenBondAcceptorCount: 10
HydrogenBondDonorCount: 1
RotatableBondCount: 12
Xlogp3: 5.6
CatalogNumber:
AA98804
ChemicalName:
Cbz-L-Tyrosine benzyl ester triflate
CasNumber:
183070-41-9
MolecularFormula:
C25H22F3NO7S
MolecularWeight:
537.5049
MdlNumber:
MFCD16295051
Smiles:
O=C(N[C@H](C(=O)OCc1ccccc1)Cc1ccc(cc1)OS(=O)(=O)C(F)(F)F)OCc1ccccc1
Complexity:
826
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
37
HydrogenBondAcceptorCount:
10
HydrogenBondDonorCount:
1
RotatableBondCount:
12
Xlogp3:
5.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1cc(Br)c(c(c1)C(=O)O)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1cc(Br)c(c(c1)C(=O)O)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA98807
ChemicalName: 6-bromo-2,3-difluorobenzoic acid
CasNumber: 183065-72-7
MolecularFormula: C7H3BrF2O2
MolecularWeight: 236.9983
MdlNumber: MFCD07368092
Smiles: OC(=O)c1c(Br)ccc(c1F)F
Complexity: 188
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 1.4
CatalogNumber:
AA98807
ChemicalName:
6-bromo-2,3-difluorobenzoic acid
CasNumber:
183065-72-7
MolecularFormula:
C7H3BrF2O2
MolecularWeight:
236.9983
MdlNumber:
MFCD07368092
Smiles:
OC(=O)c1c(Br)ccc(c1F)F
Complexity:
188
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
1.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
Complexity: 301
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 11.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCC
Complexity:
301
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
11.9