AI47716
328-67-6 | 3-Bromo-5-trifluoromethylbenzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AI47716
ChemicalName
3-Bromo-5-trifluoromethylbenzoic acid
CasNumber
328-67-6
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0153696
MdlNumber
MFCD03412186
Smiles
Brc1cc(cc(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: AI47716
ChemicalName: 3-Bromo-5-trifluoromethylbenzoic acid
CasNumber: 328-67-6
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0153696
MdlNumber: MFCD03412186
Smiles: Brc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AI47716
ChemicalName:
3-Bromo-5-trifluoromethylbenzoic acid
CasNumber:
328-67-6
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0153696
MdlNumber:
MFCD03412186
Smiles:
Brc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: FC(c1nc(nc(n1)C(Cl)(F)F)C(F)(F)F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
FC(c1nc(nc(n1)C(Cl)(F)F)C(F)(F)F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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ChemicalName: __
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MolecularFormula: __
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Smiles: Brc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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MolecularFormula:
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Smiles:
Brc1ccc2c(c1)C(=O)C(=O)N2CCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
__
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ChemicalName: __
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Smiles: O=C(N1CCOCC1)CSc1nnc(s1)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1CCOCC1)CSc1nnc(s1)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__