AB45154
659-28-9 | 4-(Trifluoromethoxy)benzaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AB45154
ChemicalName
4-(Trifluoromethoxy)benzaldehyde
CasNumber
659-28-9
MolecularFormula
C8H5F3O2
MolecularWeight
190.1193
MdlNumber
MFCD00041530
Smiles
O=Cc1ccc(cc1)OC(F)(F)F
Complexity
171
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
3
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CatalogNumber: AB45154
ChemicalName: 4-(Trifluoromethoxy)benzaldehyde
CasNumber: 659-28-9
MolecularFormula: C8H5F3O2
MolecularWeight: 190.1193
MdlNumber: MFCD00041530
Smiles: O=Cc1ccc(cc1)OC(F)(F)F
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 3
CatalogNumber:
AB45154
ChemicalName:
4-(Trifluoromethoxy)benzaldehyde
CasNumber:
659-28-9
MolecularFormula:
C8H5F3O2
MolecularWeight:
190.1193
MdlNumber:
MFCD00041530
Smiles:
O=Cc1ccc(cc1)OC(F)(F)F
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
3
CatalogNumber: AB45155
ChemicalName: 4-(Trifluoromethyl)phenol
CasNumber: 402-45-9
MolecularFormula: C7H5F3O
MolecularWeight: 162.1092
MdlNumber: MFCD00002363
Smiles: FC(c1ccc(cc1)O)(F)F
Complexity: 124
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 4
RotatableBondCount: __
Xlogp3: 2.8
CatalogNumber:
AB45155
ChemicalName:
4-(Trifluoromethyl)phenol
CasNumber:
402-45-9
MolecularFormula:
C7H5F3O
MolecularWeight:
162.1092
MdlNumber:
MFCD00002363
Smiles:
FC(c1ccc(cc1)O)(F)F
Complexity:
124
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
4
RotatableBondCount:
__
Xlogp3:
2.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1ccc(cc1)C(c1ccccc1)(c1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB45157
ChemicalName: Methyl indazole-5-carboxylate
CasNumber: 473416-12-5
MolecularFormula: C9H8N2O2
MolecularWeight: 176.172
MdlNumber: MFCD07371609
Smiles: COC(=O)c1ccc2c(c1)cn[nH]2
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AB45157
ChemicalName:
Methyl indazole-5-carboxylate
CasNumber:
473416-12-5
MolecularFormula:
C9H8N2O2
MolecularWeight:
176.172
MdlNumber:
MFCD07371609
Smiles:
COC(=O)c1ccc2c(c1)cn[nH]2
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.1