AI45817
251300-31-9 | 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI45817
ChemicalName
5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid
CasNumber
251300-31-9
MolecularFormula
C8H4BrF3O3
MolecularWeight
285.0148
MdlNumber
MFCD28101654
Smiles
Brc1cc(C(=O)O)c(c(c1)C(F)(F)F)O
Complexity
256
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
2
RotatableBondCount
1
Xlogp3
3.9
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CatalogNumber: AI45817
ChemicalName: 5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid
CasNumber: 251300-31-9
MolecularFormula: C8H4BrF3O3
MolecularWeight: 285.0148
MdlNumber: MFCD28101654
Smiles: Brc1cc(C(=O)O)c(c(c1)C(F)(F)F)O
Complexity: 256
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: 3.9
CatalogNumber:
AI45817
ChemicalName:
5-Bromo-2-hydroxy-3-(trifluoromethyl)benzoic acid
CasNumber:
251300-31-9
MolecularFormula:
C8H4BrF3O3
MolecularWeight:
285.0148
MdlNumber:
MFCD28101654
Smiles:
Brc1cc(C(=O)O)c(c(c1)C(F)(F)F)O
Complexity:
256
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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Smiles:
COC1=C(C=C(C=C1)C2C3=CC(=C(C=C3CCN2)OC)OC)OC.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: COC(=O)C1CC(CN1c1ncc(cc1Cl)C(F)(F)F)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
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Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
COC(=O)C1CC(CN1c1ncc(cc1Cl)C(F)(F)F)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
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RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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MdlNumber: __
Smiles: N#CC(=Cc1ccc2c(c1)OCCO2)C#N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#CC(=Cc1ccc2c(c1)OCCO2)C#N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__