AA99994
177420-64-3 | 2-Bromo-6-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA99994
ChemicalName
2-Bromo-6-(trifluoromethyl)benzoic acid
CasNumber
177420-64-3
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0154
MdlNumber
MFCD06253757
Smiles
OC(=O)c1c(Br)cccc1C(F)(F)F
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AA99994
ChemicalName: 2-Bromo-6-(trifluoromethyl)benzoic acid
CasNumber: 177420-64-3
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD06253757
Smiles: OC(=O)c1c(Br)cccc1C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA99994
ChemicalName:
2-Bromo-6-(trifluoromethyl)benzoic acid
CasNumber:
177420-64-3
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD06253757
Smiles:
OC(=O)c1c(Br)cccc1C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AA99995
ChemicalName: 2-Bromo-3-(trifluoromethyl)benzoic acid
CasNumber: 177420-63-2
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD08532493
Smiles: OC(=O)c1cccc(c1Br)C(F)(F)F
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA99995
ChemicalName:
2-Bromo-3-(trifluoromethyl)benzoic acid
CasNumber:
177420-63-2
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD08532493
Smiles:
OC(=O)c1cccc(c1Br)C(F)(F)F
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
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MolecularFormula: __
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Smiles: CCOC(=O)c1ncc([nH]1)C(=O)OC(C)(C)C
Complexity: __
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HeavyAtomCount: __
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Xlogp3: __
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Smiles:
CCOC(=O)c1ncc([nH]1)C(=O)OC(C)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Smiles: CC(=O)NC(Cc1ccc(cc1)Cl)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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RotatableBondCount: __
Xlogp3: __
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(=O)NC(Cc1ccc(cc1)Cl)(C)C
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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