AB47790
54367-66-7 | 5-Chloro-1-methyl-1h-pyrazole-4-carboxylic acid
Manufacturer: A2B Chem
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CatalogNumber
AB47790
ChemicalName
5-Chloro-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber
54367-66-7
MolecularFormula
C5H5ClN2O2
MolecularWeight
160.5584
MdlNumber
MFCD02089694
Smiles
OC(=O)c1cnn(c1Cl)C
Complexity
153
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.7
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CatalogNumber: AB47790
ChemicalName: 5-Chloro-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber: 54367-66-7
MolecularFormula: C5H5ClN2O2
MolecularWeight: 160.5584
MdlNumber: MFCD02089694
Smiles: OC(=O)c1cnn(c1Cl)C
Complexity: 153
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB47790
ChemicalName:
5-Chloro-1-methyl-1h-pyrazole-4-carboxylic acid
CasNumber:
54367-66-7
MolecularFormula:
C5H5ClN2O2
MolecularWeight:
160.5584
MdlNumber:
MFCD02089694
Smiles:
OC(=O)c1cnn(c1Cl)C
Complexity:
153
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: AB47791
ChemicalName: Cyclobutanecarboxaldehyde
CasNumber: 2987-17-9
MolecularFormula: C5H8O
MolecularWeight: 84.1164
MdlNumber: MFCD03789631
Smiles: O=CC1CCC1
Complexity: 55
Covalently-bondedUnitCount: 1
HeavyAtomCount: 6
HydrogenBondAcceptorCount: 1
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.7
CatalogNumber:
AB47791
ChemicalName:
Cyclobutanecarboxaldehyde
CasNumber:
2987-17-9
MolecularFormula:
C5H8O
MolecularWeight:
84.1164
MdlNumber:
MFCD03789631
Smiles:
O=CC1CCC1
Complexity:
55
Covalently-bondedUnitCount:
1
HeavyAtomCount:
6
HydrogenBondAcceptorCount:
1
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=Cc1c(F)c(F)c(c(c1F)F)C=O
Complexity: 195
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=Cc1c(F)c(F)c(c(c1F)F)C=O
Complexity:
195
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: BrCCCCCCCC(=O)OCC
Complexity: 126
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
BrCCCCCCCC(=O)OCC
Complexity:
126
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3