AI43980
195254-57-0 | 2-(N-Benzyl-2,2,2-trifluoroacetamido)acetic acid
Manufacturer: A2B Chem
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CatalogNumber
AI43980
ChemicalName
2-(N-Benzyl-2,2,2-trifluoroacetamido)acetic acid
CasNumber
195254-57-0
MolecularFormula
C11H10F3NO3
MolecularWeight
261.1972
MdlNumber
MFCD00029786
Smiles
O=C(C(F)(F)F)N(Cc1ccccc1)CC(=O)O
Complexity
311
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AI43980
ChemicalName: 2-(N-Benzyl-2,2,2-trifluoroacetamido)acetic acid
CasNumber: 195254-57-0
MolecularFormula: C11H10F3NO3
MolecularWeight: 261.1972
MdlNumber: MFCD00029786
Smiles: O=C(C(F)(F)F)N(Cc1ccccc1)CC(=O)O
Complexity: 311
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AI43980
ChemicalName:
2-(N-Benzyl-2,2,2-trifluoroacetamido)acetic acid
CasNumber:
195254-57-0
MolecularFormula:
C11H10F3NO3
MolecularWeight:
261.1972
MdlNumber:
MFCD00029786
Smiles:
O=C(C(F)(F)F)N(Cc1ccccc1)CC(=O)O
Complexity:
311
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: AI43981
ChemicalName: 5-Hydroxyindole
CasNumber: 1953-54-4
MolecularFormula: C8H7NO
MolecularWeight: 133.1473
MdlNumber: MFCD00005677
Smiles: Oc1ccc2c(c1)cc[nH]2
Complexity: 126
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 2
CatalogNumber:
AI43981
ChemicalName:
5-Hydroxyindole
CasNumber:
1953-54-4
MolecularFormula:
C8H7NO
MolecularWeight:
133.1473
MdlNumber:
MFCD00005677
Smiles:
Oc1ccc2c(c1)cc[nH]2
Complexity:
126
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
2
CatalogNumber: AI43982
ChemicalName: Tetrachlorophthalonitrile
CasNumber: 1953-99-7
MolecularFormula: C8Cl4N2
MolecularWeight: 265.911
MdlNumber: MFCD00019740
Smiles: N#Cc1c(C#N)c(Cl)c(c(c1Cl)Cl)Cl
Complexity: 282
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
AI43982
ChemicalName:
Tetrachlorophthalonitrile
CasNumber:
1953-99-7
MolecularFormula:
C8Cl4N2
MolecularWeight:
265.911
MdlNumber:
MFCD00019740
Smiles:
N#Cc1c(C#N)c(Cl)c(c(c1Cl)Cl)Cl
Complexity:
282
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C(N1CCc2c(C1)cccc2B(O)O)OC(C)(C)C
Complexity: 356
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(N1CCc2c(C1)cccc2B(O)O)OC(C)(C)C
Complexity:
356
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__