AA43031
127733-39-5 | (S)-1-[2-(Trifluoromethyl)phenyl]ethylamine
Manufacturer: A2B Chem
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CatalogNumber
AA43031
ChemicalName
(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine
CasNumber
127733-39-5
MolecularFormula
C9H10F3N
MolecularWeight
189.1776096
MdlNumber
MFCD03093003
Smiles
C[C@@H](c1ccccc1C(F)(F)F)N
Complexity
167
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA43031
ChemicalName: (S)-1-[2-(Trifluoromethyl)phenyl]ethylamine
CasNumber: 127733-39-5
MolecularFormula: C9H10F3N
MolecularWeight: 189.1776096
MdlNumber: MFCD03093003
Smiles: C[C@@H](c1ccccc1C(F)(F)F)N
Complexity: 167
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA43031
ChemicalName:
(S)-1-[2-(Trifluoromethyl)phenyl]ethylamine
CasNumber:
127733-39-5
MolecularFormula:
C9H10F3N
MolecularWeight:
189.1776096
MdlNumber:
MFCD03093003
Smiles:
C[C@@H](c1ccccc1C(F)(F)F)N
Complexity:
167
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: __
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MolecularFormula: __
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Smiles: NCCCP(=O)(O)C
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
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__
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Smiles:
NCCCP(=O)(O)C
Complexity:
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Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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__
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MolecularFormula: __
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Smiles: CCOc1ccc(cc1)C#Cc1ccc(cc1)F
Complexity: __
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DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CCOc1ccc(cc1)C#Cc1ccc(cc1)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: [O-][N+](=O)c1c(Cl)nc(nc1Cl)S(=O)(=O)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1c(Cl)nc(nc1Cl)S(=O)(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__