AI51384
50594-78-0 | 5-Fluoro-2-nitrobenzonitrile
Manufacturer: A2B Chem
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CatalogNumber
AI51384
ChemicalName
5-Fluoro-2-nitrobenzonitrile
CasNumber
50594-78-0
MolecularFormula
C7H3FN2O2
MolecularWeight
166.1093
MdlNumber
MFCD01632196
Smiles
N#Cc1cc(F)ccc1[N+](=O)[O-]
Complexity
229
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
4
Xlogp3
1.4
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CatalogNumber: AI51384
ChemicalName: 5-Fluoro-2-nitrobenzonitrile
CasNumber: 50594-78-0
MolecularFormula: C7H3FN2O2
MolecularWeight: 166.1093
MdlNumber: MFCD01632196
Smiles: N#Cc1cc(F)ccc1[N+](=O)[O-]
Complexity: 229
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
Xlogp3: 1.4
CatalogNumber:
AI51384
ChemicalName:
5-Fluoro-2-nitrobenzonitrile
CasNumber:
50594-78-0
MolecularFormula:
C7H3FN2O2
MolecularWeight:
166.1093
MdlNumber:
MFCD01632196
Smiles:
N#Cc1cc(F)ccc1[N+](=O)[O-]
Complexity:
229
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
Xlogp3:
1.4
CatalogNumber: AI51385
ChemicalName: 3,4,5-Trichlorobenzotrifluoride
CasNumber: 50594-82-6
MolecularFormula: C7H2Cl3F3
MolecularWeight: 249.445
MdlNumber: MFCD00035985
Smiles: Clc1c(Cl)cc(cc1Cl)C(F)(F)F
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
Xlogp3: 4.7
CatalogNumber:
AI51385
ChemicalName:
3,4,5-Trichlorobenzotrifluoride
CasNumber:
50594-82-6
MolecularFormula:
C7H2Cl3F3
MolecularWeight:
249.445
MdlNumber:
MFCD00035985
Smiles:
Clc1c(Cl)cc(cc1Cl)C(F)(F)F
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCCCCC=CCCCCCCCCCCCCCC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AI51387
ChemicalName: 1-Benzylpiperidin-3-one, HCl
CasNumber: 50606-58-1
MolecularFormula: C12H16ClNO
MolecularWeight: 225.71453999999997
MdlNumber: MFCD00012791
Smiles: O=C1CCCN(C1)Cc1ccccc1.Cl
Complexity: 197
Covalently-bondedUnitCount: 2
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
Xlogp3: __
CatalogNumber:
AI51387
ChemicalName:
1-Benzylpiperidin-3-one, HCl
CasNumber:
50606-58-1
MolecularFormula:
C12H16ClNO
MolecularWeight:
225.71453999999997
MdlNumber:
MFCD00012791
Smiles:
O=C1CCCN(C1)Cc1ccccc1.Cl
Complexity:
197
Covalently-bondedUnitCount:
2
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
Xlogp3:
__