AB43343
400755-44-4 | 1-Ethyl-1h-pyrazole-3-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB43343
ChemicalName
1-Ethyl-1h-pyrazole-3-carboxylic acid
CasNumber
400755-44-4
MolecularFormula
C6H8N2O2
MolecularWeight
140.1399
MdlNumber
MFCD02090832
Smiles
CCn1ccc(n1)C(=O)O
Complexity
138
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
2
Xlogp3
0.4
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CatalogNumber: AB43343
ChemicalName: 1-Ethyl-1h-pyrazole-3-carboxylic acid
CasNumber: 400755-44-4
MolecularFormula: C6H8N2O2
MolecularWeight: 140.1399
MdlNumber: MFCD02090832
Smiles: CCn1ccc(n1)C(=O)O
Complexity: 138
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 2
Xlogp3: 0.4
CatalogNumber:
AB43343
ChemicalName:
1-Ethyl-1h-pyrazole-3-carboxylic acid
CasNumber:
400755-44-4
MolecularFormula:
C6H8N2O2
MolecularWeight:
140.1399
MdlNumber:
MFCD02090832
Smiles:
CCn1ccc(n1)C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
2
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCn1nccc1C(=O)O
Complexity: 138
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 0.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCn1nccc1C(=O)O
Complexity:
138
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
0.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCc1ccc(cc1)C#C
Complexity: 164
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 4.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCc1ccc(cc1)C#C
Complexity:
164
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
4.6
CatalogNumber: AB43346
ChemicalName: 4-Fluoro-3-nitrobenzotrifluoride
CasNumber: 367-86-2
MolecularFormula: C7H3F4NO2
MolecularWeight: 209.0978
MdlNumber: MFCD00007059
Smiles: [O-][N+](=O)c1cc(ccc1F)C(F)(F)F
Complexity: 225
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 2.2
CatalogNumber:
AB43346
ChemicalName:
4-Fluoro-3-nitrobenzotrifluoride
CasNumber:
367-86-2
MolecularFormula:
C7H3F4NO2
MolecularWeight:
209.0978
MdlNumber:
MFCD00007059
Smiles:
[O-][N+](=O)c1cc(ccc1F)C(F)(F)F
Complexity:
225
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
2.2