AA87622
161622-05-5 | 3-Fluoro-5-(trifluoromethyl)benzoic acid
Manufacturer: A2B Chem
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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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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
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
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Smiles: CC(C(c1ccccn1)c1ccccc1)(c1ccc(cc1)c1ccccc1)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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MolecularFormula:
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MolecularWeight:
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Smiles:
CC(C(c1ccccn1)c1ccccc1)(c1ccc(cc1)c1ccccc1)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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HydrogenBondDonorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: COc1ccc(cc1)[C@@]([C@H](c1ccccn1)c1ccccc1)(CC)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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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:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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Smiles: Clc1ccc(cc1)c1cn2c(n1)sc(n2)N
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Clc1ccc(cc1)c1cn2c(n1)sc(n2)N
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__