AB38585
29682-14-2 | Methyl 5-nitropicolinate
Manufacturer: A2B Chem
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CatalogNumber
AB38585
ChemicalName
Methyl 5-nitropicolinate
CasNumber
29682-14-2
MolecularFormula
C7H6N2O4
MolecularWeight
182.1335
MdlNumber
MFCD09062740
Smiles
COC(=O)c1ccc(cn1)[N+](=O)[O-]
Complexity
213
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
5
RotatableBondCount
2
Xlogp3
0.9
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CatalogNumber: AB38585
ChemicalName: Methyl 5-nitropicolinate
CasNumber: 29682-14-2
MolecularFormula: C7H6N2O4
MolecularWeight: 182.1335
MdlNumber: MFCD09062740
Smiles: COC(=O)c1ccc(cn1)[N+](=O)[O-]
Complexity: 213
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 5
RotatableBondCount: 2
Xlogp3: 0.9
CatalogNumber:
AB38585
ChemicalName:
Methyl 5-nitropicolinate
CasNumber:
29682-14-2
MolecularFormula:
C7H6N2O4
MolecularWeight:
182.1335
MdlNumber:
MFCD09062740
Smiles:
COC(=O)c1ccc(cn1)[N+](=O)[O-]
Complexity:
213
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
5
RotatableBondCount:
2
Xlogp3:
0.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)c1ccc(cc1O)OCc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)c1ccc(cc1O)OCc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cccc(c1)C(=O)CC(=O)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cccc(c1)C(=O)CC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB38588
ChemicalName: 1-(4-Fluorophenyl)butane-1,3-dione
CasNumber: 29681-98-9
MolecularFormula: C10H9FO2
MolecularWeight: 180.1757
MdlNumber: MFCD00463139
Smiles: O=C(c1ccc(cc1)F)CC(=O)C
Complexity: 205
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 1.6
CatalogNumber:
AB38588
ChemicalName:
1-(4-Fluorophenyl)butane-1,3-dione
CasNumber:
29681-98-9
MolecularFormula:
C10H9FO2
MolecularWeight:
180.1757
MdlNumber:
MFCD00463139
Smiles:
O=C(c1ccc(cc1)F)CC(=O)C
Complexity:
205
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
1.6