AB29949
262429-49-2 | (R)-3-Amino-3-(3-chloro-phenyl)-propionic acid
Manufacturer: A2B Chem
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CatalogNumber
AB29949
ChemicalName
(R)-3-Amino-3-(3-chloro-phenyl)-propionic acid
CasNumber
262429-49-2
MolecularFormula
C9H10ClNO2
MolecularWeight
199.6342
MdlNumber
MFCD04113654
Smiles
OC(=O)C[C@H](c1cccc(c1)Cl)N
Complexity
187
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
Xlogp3
-1.3
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CatalogNumber: AB29949
ChemicalName: (R)-3-Amino-3-(3-chloro-phenyl)-propionic acid
CasNumber: 262429-49-2
MolecularFormula: C9H10ClNO2
MolecularWeight: 199.6342
MdlNumber: MFCD04113654
Smiles: OC(=O)C[C@H](c1cccc(c1)Cl)N
Complexity: 187
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
Xlogp3: -1.3
CatalogNumber:
AB29949
ChemicalName:
(R)-3-Amino-3-(3-chloro-phenyl)-propionic acid
CasNumber:
262429-49-2
MolecularFormula:
C9H10ClNO2
MolecularWeight:
199.6342
MdlNumber:
MFCD04113654
Smiles:
OC(=O)C[C@H](c1cccc(c1)Cl)N
Complexity:
187
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
Xlogp3:
-1.3
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Smiles: O=Cc1ccc2c(c1)NC(=O)CS2
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Smiles:
O=Cc1ccc2c(c1)NC(=O)CS2
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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MolecularFormula: __
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Smiles: C[C@@H](COS(=O)(=O)C)O
Complexity: __
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HeavyAtomCount: __
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
C[C@@H](COS(=O)(=O)C)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__