AB68156
13509-19-8 | 4-Nitropicolinic acid
Manufacturer: A2B Chem
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CatalogNumber
AB68156
ChemicalName
4-Nitropicolinic acid
CasNumber
13509-19-8
MolecularFormula
C6H4N2O4
MolecularWeight
168.107
MdlNumber
MFCD18803208
Smiles
[O-][N+](=O)c1ccnc(c1)C(=O)O
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
5
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.5
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CatalogNumber: AB68156
ChemicalName: 4-Nitropicolinic acid
CasNumber: 13509-19-8
MolecularFormula: C6H4N2O4
MolecularWeight: 168.107
MdlNumber: MFCD18803208
Smiles: [O-][N+](=O)c1ccnc(c1)C(=O)O
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.5
CatalogNumber:
AB68156
ChemicalName:
4-Nitropicolinic acid
CasNumber:
13509-19-8
MolecularFormula:
C6H4N2O4
MolecularWeight:
168.107
MdlNumber:
MFCD18803208
Smiles:
[O-][N+](=O)c1ccnc(c1)C(=O)O
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.5
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(cc1)c1ccc(cc1)c1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(cc1)c1ccc(cc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1cc2cccc3c2c2c1cccc2cc3
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB68159
ChemicalName: 4-Nitropyridine n-oxide
CasNumber: 1124-33-0
MolecularFormula: C5H4N2O3
MolecularWeight: 140.0969
MdlNumber: MFCD00006206
Smiles: O=N(=O)c1cc[n+](cc1)[O-]
Complexity: 125
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -0.6
CatalogNumber:
AB68159
ChemicalName:
4-Nitropyridine n-oxide
CasNumber:
1124-33-0
MolecularFormula:
C5H4N2O3
MolecularWeight:
140.0969
MdlNumber:
MFCD00006206
Smiles:
O=N(=O)c1cc[n+](cc1)[O-]
Complexity:
125
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-0.6