AB64433
581813-17-4 | 3-Bromo-4-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AB64433
ChemicalName
3-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber
581813-17-4
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0153696
MdlNumber
MFCD13185386
Smiles
OC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AB64433
ChemicalName: 3-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber: 581813-17-4
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0153696
MdlNumber: MFCD13185386
Smiles: OC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AB64433
ChemicalName:
3-Bromo-4-(trifluoromethyl)benzoic acid
CasNumber:
581813-17-4
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0153696
MdlNumber:
MFCD13185386
Smiles:
OC(=O)c1ccc(c(c1)Br)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AB64434
ChemicalName: 3-Bromo-4,5-diaminobenzotrifluoride
CasNumber: 113170-72-2
MolecularFormula: C7H6BrF3N2
MolecularWeight: 255.0351
MdlNumber: MFCD00042484
Smiles: Nc1cc(cc(c1N)Br)C(F)(F)F
Complexity: 185
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
AB64434
ChemicalName:
3-Bromo-4,5-diaminobenzotrifluoride
CasNumber:
113170-72-2
MolecularFormula:
C7H6BrF3N2
MolecularWeight:
255.0351
MdlNumber:
MFCD00042484
Smiles:
Nc1cc(cc(c1N)Br)C(F)(F)F
Complexity:
185
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOc1cc(C#N)cc(c1OCC)Br
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOc1cc(C#N)cc(c1OCC)Br
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C1Nc2ccccc2CCC1Br
Complexity: 207
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C1Nc2ccccc2CCC1Br
Complexity:
207
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.3