AB63810
22227-26-5 | 3,5-Bis(trifluoromethyl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AB63810
ChemicalName
3,5-Bis(trifluoromethyl)benzamide
CasNumber
22227-26-5
MolecularFormula
C9H5F6NO
MolecularWeight
257.1325
MdlNumber
MFCD00015511
Smiles
NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity
275
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
3.1
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CatalogNumber: AB63810
ChemicalName: 3,5-Bis(trifluoromethyl)benzamide
CasNumber: 22227-26-5
MolecularFormula: C9H5F6NO
MolecularWeight: 257.1325
MdlNumber: MFCD00015511
Smiles: NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity: 275
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 3.1
CatalogNumber:
AB63810
ChemicalName:
3,5-Bis(trifluoromethyl)benzamide
CasNumber:
22227-26-5
MolecularFormula:
C9H5F6NO
MolecularWeight:
257.1325
MdlNumber:
MFCD00015511
Smiles:
NC(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Complexity:
275
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=N)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB63812
ChemicalName: 3,5-Bis(trifluoromethyl)phenylboronic acid
CasNumber: 73852-19-4
MolecularFormula: C8H5BF6O2
MolecularWeight: 257.9255
MdlNumber: MFCD00051850
Smiles: OB(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Complexity: 242
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 2
RotatableBondCount: 1
Xlogp3: __
CatalogNumber:
AB63812
ChemicalName:
3,5-Bis(trifluoromethyl)phenylboronic acid
CasNumber:
73852-19-4
MolecularFormula:
C8H5BF6O2
MolecularWeight:
257.9255
MdlNumber:
MFCD00051850
Smiles:
OB(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)O
Complexity:
242
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
2
RotatableBondCount:
1
Xlogp3:
__
CatalogNumber: AB63813
ChemicalName: 3,5-Bis(trifluoromethyl)benzenesulfonyl chloride
CasNumber: 39234-86-1
MolecularFormula: C8H3ClF6O2S
MolecularWeight: 312.61663919999995
MdlNumber: MFCD00014725
Smiles: FC(c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F)(F)F
Complexity: 373
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 4.3
CatalogNumber:
AB63813
ChemicalName:
3,5-Bis(trifluoromethyl)benzenesulfonyl chloride
CasNumber:
39234-86-1
MolecularFormula:
C8H3ClF6O2S
MolecularWeight:
312.61663919999995
MdlNumber:
MFCD00014725
Smiles:
FC(c1cc(cc(c1)S(=O)(=O)Cl)C(F)(F)F)(F)F
Complexity:
373
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
4.3