AA27819
1241677-90-6 | (2R)-2-Amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA27819
ChemicalName
(2R)-2-Amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CasNumber
1241677-90-6
MolecularFormula
C10H10F3NO3
MolecularWeight
249.1865
MdlNumber
MFCD07371978
Smiles
N[C@@H](C(=O)O)Cc1ccc(cc1)OC(F)(F)F
Complexity
262
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
2
RotatableBondCount
4
Xlogp3
0.1
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CatalogNumber: AA27819
ChemicalName: (2R)-2-Amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CasNumber: 1241677-90-6
MolecularFormula: C10H10F3NO3
MolecularWeight: 249.1865
MdlNumber: MFCD07371978
Smiles: N[C@@H](C(=O)O)Cc1ccc(cc1)OC(F)(F)F
Complexity: 262
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 2
RotatableBondCount: 4
Xlogp3: 0.1
CatalogNumber:
AA27819
ChemicalName:
(2R)-2-Amino-3-[4-(trifluoromethoxy)phenyl]propanoic acid
CasNumber:
1241677-90-6
MolecularFormula:
C10H10F3NO3
MolecularWeight:
249.1865
MdlNumber:
MFCD07371978
Smiles:
N[C@@H](C(=O)O)Cc1ccc(cc1)OC(F)(F)F
Complexity:
262
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
2
RotatableBondCount:
4
Xlogp3:
0.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)[C@@H](Cc1cccc(c1)I)N
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)[C@@H](Cc1cccc(c1)I)N
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA27823
ChemicalName: 1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene
CasNumber: 124170-06-5
MolecularFormula: C7H3F4NO3
MolecularWeight: 225.0972
MdlNumber: MFCD00042300
Smiles: [O-][N+](=O)c1cc(ccc1F)OC(F)(F)F
Complexity: 239
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AA27823
ChemicalName:
1-Fluoro-2-nitro-4-(trifluoromethoxy)benzene
CasNumber:
124170-06-5
MolecularFormula:
C7H3F4NO3
MolecularWeight:
225.0972
MdlNumber:
MFCD00042300
Smiles:
[O-][N+](=O)c1cc(ccc1F)OC(F)(F)F
Complexity:
239
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ONC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(cc1)N)CC(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ONC(=O)[C@H](NC(=O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)CNC(=O)c1ccc(cc1)N)CC(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__