AI63967
951666-45-8 | N-Butyl-5-fluoro-2-nitroaniline
Manufacturer: A2B Chem
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CatalogNumber
AI63967
ChemicalName
N-Butyl-5-fluoro-2-nitroaniline
CasNumber
951666-45-8
MolecularFormula
C10H13FN2O2
MolecularWeight
212.2208
MdlNumber
MFCD16744222
Smiles
[O-][N+](=O)c1ccc(cc1NCCCC)F
Complexity
208
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
3.6
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CatalogNumber: AI63967
ChemicalName: N-Butyl-5-fluoro-2-nitroaniline
CasNumber: 951666-45-8
MolecularFormula: C10H13FN2O2
MolecularWeight: 212.2208
MdlNumber: MFCD16744222
Smiles: [O-][N+](=O)c1ccc(cc1NCCCC)F
Complexity: 208
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 3.6
CatalogNumber:
AI63967
ChemicalName:
N-Butyl-5-fluoro-2-nitroaniline
CasNumber:
951666-45-8
MolecularFormula:
C10H13FN2O2
MolecularWeight:
212.2208
MdlNumber:
MFCD16744222
Smiles:
[O-][N+](=O)c1ccc(cc1NCCCC)F
Complexity:
208
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
3.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=Cc1cc(F)ccc1[N+](=O)[O-]
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=Cc1cc(F)ccc1[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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