AI46209
26930-22-3 | 3-Nitro-N-(2,2,2-trifluoroethyl)benzamide
Manufacturer: A2B Chem
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CatalogNumber
AI46209
ChemicalName
3-Nitro-N-(2,2,2-trifluoroethyl)benzamide
CasNumber
26930-22-3
MolecularFormula
C9H7F3N2O3
MolecularWeight
248.1587
MdlNumber
MFCD06675043
Smiles
O=C(c1cccc(c1)[N+](=O)[O-])NCC(F)(F)F
Complexity
301
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
2.1
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CatalogNumber: AI46209
ChemicalName: 3-Nitro-N-(2,2,2-trifluoroethyl)benzamide
CasNumber: 26930-22-3
MolecularFormula: C9H7F3N2O3
MolecularWeight: 248.1587
MdlNumber: MFCD06675043
Smiles: O=C(c1cccc(c1)[N+](=O)[O-])NCC(F)(F)F
Complexity: 301
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2.1
CatalogNumber:
AI46209
ChemicalName:
3-Nitro-N-(2,2,2-trifluoroethyl)benzamide
CasNumber:
26930-22-3
MolecularFormula:
C9H7F3N2O3
MolecularWeight:
248.1587
MdlNumber:
MFCD06675043
Smiles:
O=C(c1cccc(c1)[N+](=O)[O-])NCC(F)(F)F
Complexity:
301
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C[C@@H](Cc1ccc(cc1Cl)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity: 640
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 5.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)C[C@@H](Cc1ccc(cc1Cl)Cl)NC(=O)OCC1c2ccccc2-c2c1cccc2
Complexity:
640
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
5.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](Cc1ccc(c(c1)Cl)Cl)CC(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](Cc1ccc(c(c1)Cl)Cl)CC(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: N[C@H](Cc1ccc(c(c1)F)F)CC(=O)O.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N[C@H](Cc1ccc(c(c1)F)F)CC(=O)O.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__