AA74171
149105-11-3 | 4'-Hydroxy-3'-(trifluoromethyl)acetophenone
Manufacturer: A2B Chem
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CatalogNumber
AA74171
ChemicalName
4'-Hydroxy-3'-(trifluoromethyl)acetophenone
CasNumber
149105-11-3
MolecularFormula
C9H7F3O2
MolecularWeight
204.1459
MdlNumber
MFCD01091005
Smiles
CC(=O)c1ccc(c(c1)C(F)(F)F)O
Complexity
225
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
2.1
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CatalogNumber: AA74171
ChemicalName: 4'-Hydroxy-3'-(trifluoromethyl)acetophenone
CasNumber: 149105-11-3
MolecularFormula: C9H7F3O2
MolecularWeight: 204.1459
MdlNumber: MFCD01091005
Smiles: CC(=O)c1ccc(c(c1)C(F)(F)F)O
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA74171
ChemicalName:
4'-Hydroxy-3'-(trifluoromethyl)acetophenone
CasNumber:
149105-11-3
MolecularFormula:
C9H7F3O2
MolecularWeight:
204.1459
MdlNumber:
MFCD01091005
Smiles:
CC(=O)c1ccc(c(c1)C(F)(F)F)O
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AA74172
ChemicalName: 4'-Methoxy-3'-(trifluoromethyl)acetophenone
CasNumber: 149105-10-2
MolecularFormula: C10H9F3O2
MolecularWeight: 218.1725
MdlNumber: MFCD01091010
Smiles: COc1ccc(cc1C(F)(F)F)C(=O)C
Complexity: 237
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA74172
ChemicalName:
4'-Methoxy-3'-(trifluoromethyl)acetophenone
CasNumber:
149105-10-2
MolecularFormula:
C10H9F3O2
MolecularWeight:
218.1725
MdlNumber:
MFCD01091010
Smiles:
COc1ccc(cc1C(F)(F)F)C(=O)C
Complexity:
237
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AA74173
ChemicalName: ((4-Bromo-3-methylphenyl)carbonyl)morpholine
CasNumber: 149105-06-6
MolecularFormula: C12H14BrNO2
MolecularWeight: 284.1491
MdlNumber: MFCD09972130
Smiles: O=C(c1ccc(c(c1)C)Br)N1CCOCC1
Complexity: 253
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 2.1
CatalogNumber:
AA74173
ChemicalName:
((4-Bromo-3-methylphenyl)carbonyl)morpholine
CasNumber:
149105-06-6
MolecularFormula:
C12H14BrNO2
MolecularWeight:
284.1491
MdlNumber:
MFCD09972130
Smiles:
O=C(c1ccc(c(c1)C)Br)N1CCOCC1
Complexity:
253
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
2.1
CatalogNumber: AA74174
ChemicalName: 1-Bromo-4-(chloromethyl)-2-methylbenzene
CasNumber: 149104-97-2
MolecularFormula: C8H8BrCl
MolecularWeight: 219.5061
MdlNumber: MFCD11110175
Smiles: ClCc1ccc(c(c1)C)Br
Complexity: 105
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3.4
CatalogNumber:
AA74174
ChemicalName:
1-Bromo-4-(chloromethyl)-2-methylbenzene
CasNumber:
149104-97-2
MolecularFormula:
C8H8BrCl
MolecularWeight:
219.5061
MdlNumber:
MFCD11110175
Smiles:
ClCc1ccc(c(c1)C)Br
Complexity:
105
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3.4