AA25191
1228547-87-2 | (2S)-2-[(tert-Butoxy)carbonylamino]-2-(2-bromophenyl)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AA25191
ChemicalName
(2S)-2-[(tert-Butoxy)carbonylamino]-2-(2-bromophenyl)acetic acid
CasNumber
1228547-87-2
MolecularFormula
C13H16BrNO4
MolecularWeight
330.1744
MdlNumber
MFCD07371725
Smiles
O=C(OC(C)(C)C)N[C@@H](c1ccccc1Br)C(=O)O
Complexity
340
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
5
Xlogp3
2.9
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CatalogNumber: AA25191
ChemicalName: (2S)-2-[(tert-Butoxy)carbonylamino]-2-(2-bromophenyl)acetic acid
CasNumber: 1228547-87-2
MolecularFormula: C13H16BrNO4
MolecularWeight: 330.1744
MdlNumber: MFCD07371725
Smiles: O=C(OC(C)(C)C)N[C@@H](c1ccccc1Br)C(=O)O
Complexity: 340
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 5
Xlogp3: 2.9
CatalogNumber:
AA25191
ChemicalName:
(2S)-2-[(tert-Butoxy)carbonylamino]-2-(2-bromophenyl)acetic acid
CasNumber:
1228547-87-2
MolecularFormula:
C13H16BrNO4
MolecularWeight:
330.1744
MdlNumber:
MFCD07371725
Smiles:
O=C(OC(C)(C)C)N[C@@H](c1ccccc1Br)C(=O)O
Complexity:
340
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
5
Xlogp3:
2.9
CatalogNumber: __
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Smiles: Cc1ccc(cc1)[C@@H]1CCCCN1
Complexity: __
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Smiles:
Cc1ccc(cc1)[C@@H]1CCCCN1
Complexity:
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Smiles: N[C@@H]1CCOc2c1cccc2Cl
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Smiles:
N[C@@H]1CCOc2c1cccc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H]1CCOc2c1cccc2Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H]1CCOc2c1cccc2Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__