AG68513
62078-43-7 | 4-Nitro-1H-pyrazole-3,5-dicarboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AG68513
ChemicalName
4-Nitro-1H-pyrazole-3,5-dicarboxylic acid
CasNumber
62078-43-7
MolecularFormula
C5H3N3O6
MolecularWeight
201.0938
MdlNumber
MFCD01076649
Smiles
[O-][N+](=O)c1c([nH]nc1C(=O)O)C(=O)O
Complexity
286
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
7
HydrogenBondDonorCount
3
RotatableBondCount
2
Xlogp3
-0.2
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CatalogNumber: AG68513
ChemicalName: 4-Nitro-1H-pyrazole-3,5-dicarboxylic acid
CasNumber: 62078-43-7
MolecularFormula: C5H3N3O6
MolecularWeight: 201.0938
MdlNumber: MFCD01076649
Smiles: [O-][N+](=O)c1c([nH]nc1C(=O)O)C(=O)O
Complexity: 286
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 7
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: -0.2
CatalogNumber:
AG68513
ChemicalName:
4-Nitro-1H-pyrazole-3,5-dicarboxylic acid
CasNumber:
62078-43-7
MolecularFormula:
C5H3N3O6
MolecularWeight:
201.0938
MdlNumber:
MFCD01076649
Smiles:
[O-][N+](=O)c1c([nH]nc1C(=O)O)C(=O)O
Complexity:
286
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
7
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
-0.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C1=CC(=CC=C1C2=C(NN=C2)N)Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C1=CC(=CC=C1C2=C(NN=C2)N)Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AG68515
ChemicalName: 4-(2-Methoxyphenyl)piperidine
CasNumber: 58333-75-8
MolecularFormula: C12H17NO
MolecularWeight: 191.26948000000007
MdlNumber: MFCD00277219
Smiles: COc1ccccc1C1CCNCC1
Complexity: 166
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AG68515
ChemicalName:
4-(2-Methoxyphenyl)piperidine
CasNumber:
58333-75-8
MolecularFormula:
C12H17NO
MolecularWeight:
191.26948000000007
MdlNumber:
MFCD00277219
Smiles:
COc1ccccc1C1CCNCC1
Complexity:
166
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(=O)Cn1cccn1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(=O)Cn1cccn1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__