AB66819
320-31-0 | 4-Bromo-2-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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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
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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
CatalogNumber: AB66822
ChemicalName: 4-Bromo-2,3,5,6-tetrafluorobenzoic acid
CasNumber: 4707-24-8
MolecularFormula: C7HBrF4O2
MolecularWeight: 272.9793
MdlNumber: MFCD00075244
Smiles: Fc1c(F)c(C(=O)O)c(c(c1Br)F)F
Complexity: 224
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.5
CatalogNumber:
AB66822
ChemicalName:
4-Bromo-2,3,5,6-tetrafluorobenzoic acid
CasNumber:
4707-24-8
MolecularFormula:
C7HBrF4O2
MolecularWeight:
272.9793
MdlNumber:
MFCD00075244
Smiles:
Fc1c(F)c(C(=O)O)c(c(c1Br)F)F
Complexity:
224
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.5