AI52402
55332-38-2 | (S)-2-(4-Chlorophenyl)-3-methylbutanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI52402
ChemicalName
(S)-2-(4-Chlorophenyl)-3-methylbutanoic acid
CasNumber
55332-38-2
MolecularFormula
C11H13ClO2
MolecularWeight
212.6727
MdlNumber
MFCD04112625
Smiles
CC([C@@H](c1ccc(cc1)Cl)C(=O)O)C
Complexity
196
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AI52402
ChemicalName: (S)-2-(4-Chlorophenyl)-3-methylbutanoic acid
CasNumber: 55332-38-2
MolecularFormula: C11H13ClO2
MolecularWeight: 212.6727
MdlNumber: MFCD04112625
Smiles: CC([C@@H](c1ccc(cc1)Cl)C(=O)O)C
Complexity: 196
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AI52402
ChemicalName:
(S)-2-(4-Chlorophenyl)-3-methylbutanoic acid
CasNumber:
55332-38-2
MolecularFormula:
C11H13ClO2
MolecularWeight:
212.6727
MdlNumber:
MFCD04112625
Smiles:
CC([C@@H](c1ccc(cc1)Cl)C(=O)O)C
Complexity:
196
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)COc1nc(Cl)c(cc1Cl)Cl
Complexity: 216
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)COc1nc(Cl)c(cc1Cl)Cl
Complexity:
216
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1cnc2n1cccc2
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1cnc2n1cccc2
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: B(C1=C(C=CN=C1)CCC)(O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
B(C1=C(C=CN=C1)CCC)(O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__