AB70980
326-06-7 | Benzoyl-1,1,1-trifluoroacetone
Manufacturer: A2B Chem
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CatalogNumber
AB70980
ChemicalName
Benzoyl-1,1,1-trifluoroacetone
CasNumber
326-06-7
MolecularFormula
C10H7F3O2
MolecularWeight
216.1566
MdlNumber
MFCD00000425
Smiles
O=C(c1ccccc1)CC(=O)C(F)(F)F
NscNumber
42628
Complexity
252
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
5
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AB70980
ChemicalName: Benzoyl-1,1,1-trifluoroacetone
CasNumber: 326-06-7
MolecularFormula: C10H7F3O2
MolecularWeight: 216.1566
MdlNumber: MFCD00000425
Smiles: O=C(c1ccccc1)CC(=O)C(F)(F)F
NscNumber: 42628
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AB70980
ChemicalName:
Benzoyl-1,1,1-trifluoroacetone
CasNumber:
326-06-7
MolecularFormula:
C10H7F3O2
MolecularWeight:
216.1566
MdlNumber:
MFCD00000425
Smiles:
O=C(c1ccccc1)CC(=O)C(F)(F)F
NscNumber:
42628
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: AB70981
ChemicalName: Ethyl benzoylacetate
CasNumber: 94-02-0
MolecularFormula: C11H12O3
MolecularWeight: 192.21118
MdlNumber: MFCD00009196
Smiles: CCOC(=O)CC(=O)c1ccccc1
NscNumber: __
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.9
CatalogNumber:
AB70981
ChemicalName:
Ethyl benzoylacetate
CasNumber:
94-02-0
MolecularFormula:
C11H12O3
MolecularWeight:
192.21118
MdlNumber:
MFCD00009196
Smiles:
CCOC(=O)CC(=O)c1ccccc1
NscNumber:
__
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.9
CatalogNumber: AB70982
ChemicalName: Benzoyl-DL-leucine
CasNumber: 17966-67-5
MolecularFormula: C13H17NO3
MolecularWeight: 235.279
MdlNumber: MFCD00038295
Smiles: CC(CC(C(=O)O)NC(=O)c1ccccc1)C
NscNumber: __
Complexity: 270
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 2.5
CatalogNumber:
AB70982
ChemicalName:
Benzoyl-DL-leucine
CasNumber:
17966-67-5
MolecularFormula:
C13H17NO3
MolecularWeight:
235.279
MdlNumber:
MFCD00038295
Smiles:
CC(CC(C(=O)O)NC(=O)c1ccccc1)C
NscNumber:
__
Complexity:
270
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
2.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NNC(=O)c1ccccc1
NscNumber: __
Complexity: 119
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NNC(=O)c1ccccc1
NscNumber:
__
Complexity:
119
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.2