AB49825
143438-91-9 | 3-Amino-3-(3-trifluoromethylphenyl)propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB49825
ChemicalName
3-Amino-3-(3-trifluoromethylphenyl)propanoic acid
CasNumber
143438-91-9
MolecularFormula
C10H10F3NO2
MolecularWeight
233.1871
MdlNumber
MFCD02653329
Smiles
OC(=O)CC(c1cccc(c1)C(F)(F)F)N
Complexity
255
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
3
UndefinedAtomStereocenterCount
1
Xlogp3
-0.5
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CatalogNumber: AB49825
ChemicalName: 3-Amino-3-(3-trifluoromethylphenyl)propanoic acid
CasNumber: 143438-91-9
MolecularFormula: C10H10F3NO2
MolecularWeight: 233.1871
MdlNumber: MFCD02653329
Smiles: OC(=O)CC(c1cccc(c1)C(F)(F)F)N
Complexity: 255
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 3
UndefinedAtomStereocenterCount: 1
Xlogp3: -0.5
CatalogNumber:
AB49825
ChemicalName:
3-Amino-3-(3-trifluoromethylphenyl)propanoic acid
CasNumber:
143438-91-9
MolecularFormula:
C10H10F3NO2
MolecularWeight:
233.1871
MdlNumber:
MFCD02653329
Smiles:
OC(=O)CC(c1cccc(c1)C(F)(F)F)N
Complexity:
255
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
3
UndefinedAtomStereocenterCount:
1
Xlogp3:
-0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][n+]1c(Br)cccc1Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
[O-][n+]1c(Br)cccc1Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1nc(cc1C)C(=O)O
Complexity: 161
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1nc(cc1C)C(=O)O
Complexity:
161
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCC[n+]1ccccc1.[Br-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCC[n+]1ccccc1.[Br-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__