AB49388
479064-90-9 | Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49388
ChemicalName
Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber
479064-90-9
MolecularFormula
C14H18ClNO4
MolecularWeight
299.75
MdlNumber
MFCD03427922
Smiles
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity
346
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
2
RotatableBondCount
6
Xlogp3
2.6
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CatalogNumber: AB49388
ChemicalName: Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber: 479064-90-9
MolecularFormula: C14H18ClNO4
MolecularWeight: 299.75
MdlNumber: MFCD03427922
Smiles: OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity: 346
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 2
RotatableBondCount: 6
Xlogp3: 2.6
CatalogNumber:
AB49388
ChemicalName:
Boc-(S)-3-amino-3-(4-chlorophenyl)propionic acid
CasNumber:
479064-90-9
MolecularFormula:
C14H18ClNO4
MolecularWeight:
299.75
MdlNumber:
MFCD03427922
Smiles:
OC(=O)C[C@@H](c1ccc(cc1)Cl)NC(=O)OC(C)(C)C
Complexity:
346
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
2
RotatableBondCount:
6
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1OC2=CC=[CH](C=C2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MdlNumber:
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Smiles:
C1OC2=CC=[CH](C=C2O1)[C@H]1OC[C@H]2[C@@H]1CO[C@@H]2c1ccc2c(c1)OCO2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)c1cccc(c1Cl)Cl
Complexity: 161
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)c1cccc(c1Cl)Cl
Complexity:
161
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cc(cc2c1C(=O)c1c(C2=O)cccc1O)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__