AA35781
1261442-97-0 | 3-Methoxy-5-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA35781
ChemicalName
3-Methoxy-5-(trifluoromethoxy)benzoic acid
CasNumber
1261442-97-0
MolecularFormula
C9H7F3O4
MolecularWeight
236.1447
MdlNumber
MFCD18398450
Smiles
COc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity
254
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.4
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CatalogNumber: AA35781
ChemicalName: 3-Methoxy-5-(trifluoromethoxy)benzoic acid
CasNumber: 1261442-97-0
MolecularFormula: C9H7F3O4
MolecularWeight: 236.1447
MdlNumber: MFCD18398450
Smiles: COc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity: 254
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.4
CatalogNumber:
AA35781
ChemicalName:
3-Methoxy-5-(trifluoromethoxy)benzoic acid
CasNumber:
1261442-97-0
MolecularFormula:
C9H7F3O4
MolecularWeight:
236.1447
MdlNumber:
MFCD18398450
Smiles:
COc1cc(cc(c1)C(=O)O)OC(F)(F)F
Complexity:
254
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.4
CatalogNumber: AA35782
ChemicalName: 4-Chloro-2-(trifluoromethoxy)benzaldehyde
CasNumber: 1261442-48-1
MolecularFormula: C8H4ClF3O2
MolecularWeight: 224.5644
MdlNumber: MFCD18393772
Smiles: O=Cc1ccc(cc1OC(F)(F)F)Cl
Complexity: 207
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AA35782
ChemicalName:
4-Chloro-2-(trifluoromethoxy)benzaldehyde
CasNumber:
1261442-48-1
MolecularFormula:
C8H4ClF3O2
MolecularWeight:
224.5644
MdlNumber:
MFCD18393772
Smiles:
O=Cc1ccc(cc1OC(F)(F)F)Cl
Complexity:
207
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCc1cccc(c1Cl)I
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCc1cccc(c1Cl)I
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC(=O)c1cc(Br)ccc1OC(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC(=O)c1cc(Br)ccc1OC(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__