AB66818
509142-48-7 | 4-Bromo-2-(trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB66818
ChemicalName
4-Bromo-2-(trifluoromethoxy)benzoic acid
CasNumber
509142-48-7
MolecularFormula
C8H4BrF3O3
MolecularWeight
285.0148
MdlNumber
MFCD12546979
Smiles
OC(=O)c1ccc(cc1OC(F)(F)F)Br
Complexity
244
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AB66818
ChemicalName: 4-Bromo-2-(trifluoromethoxy)benzoic acid
CasNumber: 509142-48-7
MolecularFormula: C8H4BrF3O3
MolecularWeight: 285.0148
MdlNumber: MFCD12546979
Smiles: OC(=O)c1ccc(cc1OC(F)(F)F)Br
Complexity: 244
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AB66818
ChemicalName:
4-Bromo-2-(trifluoromethoxy)benzoic acid
CasNumber:
509142-48-7
MolecularFormula:
C8H4BrF3O3
MolecularWeight:
285.0148
MdlNumber:
MFCD12546979
Smiles:
OC(=O)c1ccc(cc1OC(F)(F)F)Br
Complexity:
244
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AB66819
ChemicalName: 4-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber: 320-31-0
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD07787468
Smiles: Brc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB66819
ChemicalName:
4-Bromo-2-(trifluoromethyl)benzoic acid
CasNumber:
320-31-0
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD07787468
Smiles:
Brc1ccc(c(c1)C(F)(F)F)C(=O)O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB66820
ChemicalName: 4-Bromo-2-(trifluoromethyl)benzaldehyde
CasNumber: 861928-27-0
MolecularFormula: C8H4BrF3O
MolecularWeight: 253.016
MdlNumber: MFCD09037472
Smiles: O=Cc1ccc(cc1C(F)(F)F)Br
Complexity: 192
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB66820
ChemicalName:
4-Bromo-2-(trifluoromethyl)benzaldehyde
CasNumber:
861928-27-0
MolecularFormula:
C8H4BrF3O
MolecularWeight:
253.016
MdlNumber:
MFCD09037472
Smiles:
O=Cc1ccc(cc1C(F)(F)F)Br
Complexity:
192
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB66821
ChemicalName: 4-Bromo-2-(trifluoromethyl)benzoyl chloride
CasNumber: 104356-17-4
MolecularFormula: C8H3BrClF3O
MolecularWeight: 287.461
MdlNumber: MFCD13185394
Smiles: Brc1ccc(c(c1)C(F)(F)F)C(=O)Cl
Complexity: 231
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4
CatalogNumber:
AB66821
ChemicalName:
4-Bromo-2-(trifluoromethyl)benzoyl chloride
CasNumber:
104356-17-4
MolecularFormula:
C8H3BrClF3O
MolecularWeight:
287.461
MdlNumber:
MFCD13185394
Smiles:
Brc1ccc(c(c1)C(F)(F)F)C(=O)Cl
Complexity:
231
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4