AI63969
951667-98-4 | 5-Fluoro-2-nitro-N-propylaniline
Manufacturer: A2B Chem
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CatalogNumber
AI63969
ChemicalName
5-Fluoro-2-nitro-N-propylaniline
CasNumber
951667-98-4
MolecularFormula
C9H11FN2O2
MolecularWeight
198.1942
MdlNumber
MFCD16744200
Smiles
[O-][N+](=O)c1ccc(cc1NCCC)F
Complexity
196
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
3.1
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CatalogNumber: AI63969
ChemicalName: 5-Fluoro-2-nitro-N-propylaniline
CasNumber: 951667-98-4
MolecularFormula: C9H11FN2O2
MolecularWeight: 198.1942
MdlNumber: MFCD16744200
Smiles: [O-][N+](=O)c1ccc(cc1NCCC)F
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 3.1
CatalogNumber:
AI63969
ChemicalName:
5-Fluoro-2-nitro-N-propylaniline
CasNumber:
951667-98-4
MolecularFormula:
C9H11FN2O2
MolecularWeight:
198.1942
MdlNumber:
MFCD16744200
Smiles:
[O-][N+](=O)c1ccc(cc1NCCC)F
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
3.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NCCOCCOCCOCCOCCN=[N+]=[N-]
Complexity: 212
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCOCCOCCOCCOCCN=[N+]=[N-]
Complexity:
212
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O[C@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O[C@H]1CCN(C[C@H]1O)C(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(c1cccc(c1n1ccn(c1=[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(c1cccc(c1n1ccn(c1=[Au]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F)c1c(cccc1C(C)C)C(C)C)C(C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__