AA05520
1014-81-9 | 3-(Trifluoromethoxy)benzoic acid
Manufacturer: A2B Chem
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CatalogNumber
AA05520
ChemicalName
3-(Trifluoromethoxy)benzoic acid
CasNumber
1014-81-9
MolecularFormula
C8H5F3O3
MolecularWeight
206.1187
MdlNumber
MFCD00041501
Smiles
OC(=O)c1cccc(c1)OC(F)(F)F
Complexity
214
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
3.2
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CatalogNumber: AA05520
ChemicalName: 3-(Trifluoromethoxy)benzoic acid
CasNumber: 1014-81-9
MolecularFormula: C8H5F3O3
MolecularWeight: 206.1187
MdlNumber: MFCD00041501
Smiles: OC(=O)c1cccc(c1)OC(F)(F)F
Complexity: 214
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 3.2
CatalogNumber:
AA05520
ChemicalName:
3-(Trifluoromethoxy)benzoic acid
CasNumber:
1014-81-9
MolecularFormula:
C8H5F3O3
MolecularWeight:
206.1187
MdlNumber:
MFCD00041501
Smiles:
OC(=O)c1cccc(c1)OC(F)(F)F
Complexity:
214
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
3.2
CatalogNumber: AA05521
ChemicalName: 3-Chloro-6-cyclohexylaminopyridazine
CasNumber: 1014-77-3
MolecularFormula: C10H14ClN3
MolecularWeight: 211.6913
MdlNumber: MFCD00968568
Smiles: Clc1ccc(nn1)NC1CCCCC1
Complexity: 171
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AA05521
ChemicalName:
3-Chloro-6-cyclohexylaminopyridazine
CasNumber:
1014-77-3
MolecularFormula:
C10H14ClN3
MolecularWeight:
211.6913
MdlNumber:
MFCD00968568
Smiles:
Clc1ccc(nn1)NC1CCCCC1
Complexity:
171
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: C[Si](Oc1ccc(cc1)[N+](=O)[O-])(C)C
Complexity: __
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Smiles:
C[Si](Oc1ccc(cc1)[N+](=O)[O-])(C)C
Complexity:
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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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Smiles: CC(c1cccc(c1)C(C)(C)C)(C)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
CC(c1cccc(c1)C(C)(C)C)(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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