AI50636
454-05-7 | 3'-Trifluoromethylacetophenone semicarbazone
Manufacturer: A2B Chem
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CatalogNumber
AI50636
ChemicalName
3'-Trifluoromethylacetophenone semicarbazone
CasNumber
454-05-7
MolecularFormula
C10H10F3N3O
MolecularWeight
245.2011
MdlNumber
MFCD17588465
Smiles
NC(=O)N/N=C(/c1cccc(c1)C(F)(F)F)C
Complexity
314
Covalently-bondedUnitCount
1
DefinedBondStereocenterCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
2
RotatableBondCount
2
Xlogp3
1.7
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CatalogNumber: AI50636
ChemicalName: 3'-Trifluoromethylacetophenone semicarbazone
CasNumber: 454-05-7
MolecularFormula: C10H10F3N3O
MolecularWeight: 245.2011
MdlNumber: MFCD17588465
Smiles: NC(=O)N/N=C(/c1cccc(c1)C(F)(F)F)C
Complexity: 314
Covalently-bondedUnitCount: 1
DefinedBondStereocenterCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: 1.7
CatalogNumber:
AI50636
ChemicalName:
3'-Trifluoromethylacetophenone semicarbazone
CasNumber:
454-05-7
MolecularFormula:
C10H10F3N3O
MolecularWeight:
245.2011
MdlNumber:
MFCD17588465
Smiles:
NC(=O)N/N=C(/c1cccc(c1)C(F)(F)F)C
Complexity:
314
Covalently-bondedUnitCount:
1
DefinedBondStereocenterCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
1.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Clc1ccc(cc1)[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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Smiles:
Clc1ccc(cc1)[C@@H](c1ccccc1)N1CCNCC1.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: O=C(N1C(C)(C)COS1(=O)=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
O=C(N1C(C)(C)COS1(=O)=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=CC=C2C=C(C=CC2=C1)CC(CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
Complexity: __
Covalently-bondedUnitCount: __
DefinedBondStereocenterCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC=C2C=C(C=CC2=C1)CC(CNC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)C(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
DefinedBondStereocenterCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__