AA68416
14173-41-2 | 4-Iodo-dl-phenylalanine
Manufacturer: A2B Chem
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CatalogNumber
AA68416
ChemicalName
4-Iodo-dl-phenylalanine
CasNumber
14173-41-2
MolecularFormula
C9H10INO2
MolecularWeight
291.0857
MdlNumber
MFCD00063066
Smiles
N[C@H](C(=O)O)Cc1ccc(cc1)I
Complexity
179
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.9
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CatalogNumber: AA68416
ChemicalName: 4-Iodo-dl-phenylalanine
CasNumber: 14173-41-2
MolecularFormula: C9H10INO2
MolecularWeight: 291.0857
MdlNumber: MFCD00063066
Smiles: N[C@H](C(=O)O)Cc1ccc(cc1)I
Complexity: 179
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.9
CatalogNumber:
AA68416
ChemicalName:
4-Iodo-dl-phenylalanine
CasNumber:
14173-41-2
MolecularFormula:
C9H10INO2
MolecularWeight:
291.0857
MdlNumber:
MFCD00063066
Smiles:
N[C@H](C(=O)O)Cc1ccc(cc1)I
Complexity:
179
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.9
CatalogNumber: AA68417
ChemicalName: 4-Chloro-DL-phenylalanine methyl ester, HCl
CasNumber: 14173-40-1
MolecularFormula: C10H13Cl2NO2
MolecularWeight: 250.1217
MdlNumber: MFCD00012530
Smiles: COC(=O)[C@H](Cc1ccc(cc1)Cl)N.Cl
Complexity: 191
Covalently-bondedUnitCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 4
UndefinedAtomStereocenterCount: 1
Xlogp3: __
CatalogNumber:
AA68417
ChemicalName:
4-Chloro-DL-phenylalanine methyl ester, HCl
CasNumber:
14173-40-1
MolecularFormula:
C10H13Cl2NO2
MolecularWeight:
250.1217
MdlNumber:
MFCD00012530
Smiles:
COC(=O)[C@H](Cc1ccc(cc1)Cl)N.Cl
Complexity:
191
Covalently-bondedUnitCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
4
UndefinedAtomStereocenterCount:
1
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](C(=O)O)Cc1ccc(cc1)Cl
Complexity: 179
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: -0.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](C(=O)O)Cc1ccc(cc1)Cl
Complexity:
179
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCc1ncccc1O.Cl
Complexity: 87.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCc1ncccc1O.Cl
Complexity:
87.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__