AA87621
161622-14-6 | 4-Bromo-3-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA87621
ChemicalName
4-Bromo-3-(trifluoromethyl)benzoic acid
CasNumber
161622-14-6
MolecularFormula
C8H4BrF3O2
MolecularWeight
269.0154
MdlNumber
MFCD08459288
Smiles
OC(=O)c1ccc(c(c1)C(F)(F)F)Br
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3
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CatalogNumber: AA87621
ChemicalName: 4-Bromo-3-(trifluoromethyl)benzoic acid
CasNumber: 161622-14-6
MolecularFormula: C8H4BrF3O2
MolecularWeight: 269.0154
MdlNumber: MFCD08459288
Smiles: OC(=O)c1ccc(c(c1)C(F)(F)F)Br
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3
CatalogNumber:
AA87621
ChemicalName:
4-Bromo-3-(trifluoromethyl)benzoic acid
CasNumber:
161622-14-6
MolecularFormula:
C8H4BrF3O2
MolecularWeight:
269.0154
MdlNumber:
MFCD08459288
Smiles:
OC(=O)c1ccc(c(c1)C(F)(F)F)Br
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3
CatalogNumber: AA87622
ChemicalName: 3-Fluoro-5-(trifluoromethyl)benzoic acid
CasNumber: 161622-05-5
MolecularFormula: C8H4F4O2
MolecularWeight: 208.1098
MdlNumber: MFCD00061293
Smiles: Fc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity: 226
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 2.4
CatalogNumber:
AA87622
ChemicalName:
3-Fluoro-5-(trifluoromethyl)benzoic acid
CasNumber:
161622-05-5
MolecularFormula:
C8H4F4O2
MolecularWeight:
208.1098
MdlNumber:
MFCD00061293
Smiles:
Fc1cc(cc(c1)C(F)(F)F)C(=O)O
Complexity:
226
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
2.4
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Smiles: CC(C(c1ccccn1)c1ccccc1)(c1ccc(cc1)c1ccccc1)O
Complexity: __
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Smiles:
CC(C(c1ccccn1)c1ccccc1)(c1ccc(cc1)c1ccccc1)O
Complexity:
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Smiles: COc1ccc(cc1)[C@@]([C@H](c1ccccn1)c1ccccc1)(CC)O
Complexity: __
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
COc1ccc(cc1)[C@@]([C@H](c1ccccn1)c1ccccc1)(CC)O
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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Xlogp3:
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