AB53170
847925-91-1 | RO4929097
Manufacturer: A2B Chem
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CatalogNumber
AB53170
ChemicalName
RO4929097
CasNumber
847925-91-1
MolecularFormula
C22H20F5N3O3
MolecularWeight
469.4045
MdlNumber
MFCD18384976
Smiles
O=C1Nc2ccccc2-c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2
Complexity
771
Covalently-bondedUnitCount
1
DefinedAtomStereocenterCount
1
HeavyAtomCount
33
HydrogenBondAcceptorCount
8
HydrogenBondDonorCount
3
RotatableBondCount
5
Xlogp3
4.6
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CatalogNumber: AB53170
ChemicalName: RO4929097
CasNumber: 847925-91-1
MolecularFormula: C22H20F5N3O3
MolecularWeight: 469.4045
MdlNumber: MFCD18384976
Smiles: O=C1Nc2ccccc2-c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2
Complexity: 771
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: 1
HeavyAtomCount: 33
HydrogenBondAcceptorCount: 8
HydrogenBondDonorCount: 3
RotatableBondCount: 5
Xlogp3: 4.6
CatalogNumber:
AB53170
ChemicalName:
RO4929097
CasNumber:
847925-91-1
MolecularFormula:
C22H20F5N3O3
MolecularWeight:
469.4045
MdlNumber:
MFCD18384976
Smiles:
O=C1Nc2ccccc2-c2c([C@@H]1NC(=O)C(C(=O)NCC(C(F)(F)F)(F)F)(C)C)cccc2
Complexity:
771
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
1
HeavyAtomCount:
33
HydrogenBondAcceptorCount:
8
HydrogenBondDonorCount:
3
RotatableBondCount:
5
Xlogp3:
4.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: FC(SN1C(=O)c2c(C1=O)cccc2)(F)F
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
FC(SN1C(=O)c2c(C1=O)cccc2)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Ic1ccc(=O)n(c1)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedAtomStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Ic1ccc(=O)n(c1)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB53173
ChemicalName: 3-Bromo-2-fluoroiodobenzene
CasNumber: 958458-89-4
MolecularFormula: C6H3BrFI
MolecularWeight: 300.8949
MdlNumber: MFCD13194483
Smiles: Fc1c(Br)cccc1I
Complexity: 99.1
Covalently-bondedUnitCount: 1
DefinedAtomStereocenterCount: __
HeavyAtomCount: 9
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.4
CatalogNumber:
AB53173
ChemicalName:
3-Bromo-2-fluoroiodobenzene
CasNumber:
958458-89-4
MolecularFormula:
C6H3BrFI
MolecularWeight:
300.8949
MdlNumber:
MFCD13194483
Smiles:
Fc1c(Br)cccc1I
Complexity:
99.1
Covalently-bondedUnitCount:
1
DefinedAtomStereocenterCount:
__
HeavyAtomCount:
9
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.4