AB51214
3013-27-2 | 3-Fluoro-2-nitrotoluene
Manufacturer: A2B Chem
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CatalogNumber
AB51214
ChemicalName
3-Fluoro-2-nitrotoluene
CasNumber
3013-27-2
MolecularFormula
C7H6FNO2
MolecularWeight
155.1264
MdlNumber
MFCD08458093
Smiles
[O-][N+](=O)c1c(C)cccc1F
Complexity
157
Covalently-bondedUnitCount
1
HeavyAtomCount
11
HydrogenBondAcceptorCount
3
Xlogp3
2.2
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CatalogNumber: AB51214
ChemicalName: 3-Fluoro-2-nitrotoluene
CasNumber: 3013-27-2
MolecularFormula: C7H6FNO2
MolecularWeight: 155.1264
MdlNumber: MFCD08458093
Smiles: [O-][N+](=O)c1c(C)cccc1F
Complexity: 157
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
Xlogp3: 2.2
CatalogNumber:
AB51214
ChemicalName:
3-Fluoro-2-nitrotoluene
CasNumber:
3013-27-2
MolecularFormula:
C7H6FNO2
MolecularWeight:
155.1264
MdlNumber:
MFCD08458093
Smiles:
[O-][N+](=O)c1c(C)cccc1F
Complexity:
157
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
Xlogp3:
2.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1ccc(=O)[nH]c1=O
Complexity: 411
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: -2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@]([C@@H]1O)(C)O)n1ccc(=O)[nH]c1=O
Complexity:
411
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
-2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCC=CC=CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCC=CC=CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
Xlogp3:
__
CatalogNumber: AB51217
ChemicalName: Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CasNumber: 30062-34-1
MolecularFormula: C7H7NO3
MolecularWeight: 153.1354
MdlNumber: MFCD17015470
Smiles: COC(=O)c1cccc(=O)[nH]1
Complexity: 252
Covalently-bondedUnitCount: 1
HeavyAtomCount: 11
HydrogenBondAcceptorCount: 3
Xlogp3: 0.3
CatalogNumber:
AB51217
ChemicalName:
Methyl 6-oxo-1,6-dihydropyridine-2-carboxylate
CasNumber:
30062-34-1
MolecularFormula:
C7H7NO3
MolecularWeight:
153.1354
MdlNumber:
MFCD17015470
Smiles:
COC(=O)c1cccc(=O)[nH]1
Complexity:
252
Covalently-bondedUnitCount:
1
HeavyAtomCount:
11
HydrogenBondAcceptorCount:
3
Xlogp3:
0.3