AB48599
69308-37-8 | (R)-4-Amino-3-(4-chlorophenyl)butanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB48599
ChemicalName
(R)-4-Amino-3-(4-chlorophenyl)butanoic acid
CasNumber
69308-37-8
MolecularFormula
C10H12ClNO2
MolecularWeight
213.6608
MdlNumber
MFCD01321057
Smiles
NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
Complexity
191
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
-1
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CatalogNumber: AB48599
ChemicalName: (R)-4-Amino-3-(4-chlorophenyl)butanoic acid
CasNumber: 69308-37-8
MolecularFormula: C10H12ClNO2
MolecularWeight: 213.6608
MdlNumber: MFCD01321057
Smiles: NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
Complexity: 191
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: -1
CatalogNumber:
AB48599
ChemicalName:
(R)-4-Amino-3-(4-chlorophenyl)butanoic acid
CasNumber:
69308-37-8
MolecularFormula:
C10H12ClNO2
MolecularWeight:
213.6608
MdlNumber:
MFCD01321057
Smiles:
NC[C@@H](c1ccc(cc1)Cl)CC(=O)O
Complexity:
191
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
-1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC([Si](C(C)C)(O[Si](C(C)C)(C(C)C)Cl)Cl)C
Complexity: 203
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC([Si](C(C)C)(O[Si](C(C)C)(C(C)C)Cl)Cl)C
Complexity:
203
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(NCC(=O)C)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)[O-])I.[Na+]
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCNC(=O)c1c(I)c(NC(=O)CNC(=O)c2c(I)c(NCC(=O)C)c(c(c2I)C(=O)NC)I)c(c(c1I)C(=O)[O-])I.[Na+]
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Cl[I](c1ccccc1)Cl
Complexity: 79.1
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Cl[I](c1ccccc1)Cl
Complexity:
79.1
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.2