AA45906
131690-60-3 | (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AA45906
ChemicalName
(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid
CasNumber
131690-60-3
MolecularFormula
C9H10ClNO2
MolecularWeight
199.6342
MdlNumber
MFCD03840457
Smiles
N[C@H](c1ccc(cc1)Cl)CC(=O)O
Complexity
179
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-0.8
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CatalogNumber: AA45906
ChemicalName: (S)-3-Amino-3-(4-chloro-phenyl)-propionic acid
CasNumber: 131690-60-3
MolecularFormula: C9H10ClNO2
MolecularWeight: 199.6342
MdlNumber: MFCD03840457
Smiles: N[C@H](c1ccc(cc1)Cl)CC(=O)O
Complexity: 179
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -0.8
CatalogNumber:
AA45906
ChemicalName:
(S)-3-Amino-3-(4-chloro-phenyl)-propionic acid
CasNumber:
131690-60-3
MolecularFormula:
C9H10ClNO2
MolecularWeight:
199.6342
MdlNumber:
MFCD03840457
Smiles:
N[C@H](c1ccc(cc1)Cl)CC(=O)O
Complexity:
179
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)[C@@H](CC(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)[C@@H](CC(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(cc1)[C@H](CC(=O)O)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(cc1)[C@H](CC(=O)O)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: SC[C@@H](C(=O)O)NC(=O)C([2H])([2H])[2H]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
SC[C@@H](C(=O)O)NC(=O)C([2H])([2H])[2H]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__