AI48618
350999-89-2 | 3-(4-Ethylphenyl)-1h-pyrazole-4-carbaldehyde
Manufacturer: A2B Chem
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CatalogNumber
AI48618
ChemicalName
3-(4-Ethylphenyl)-1h-pyrazole-4-carbaldehyde
CasNumber
350999-89-2
MolecularFormula
C12H12N2O
MolecularWeight
200.2365
MdlNumber
MFCD01993814
Smiles
CCc1ccc(cc1)c1n[nH]cc1C=O
Complexity
212
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
3
Xlogp3
2.1
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CatalogNumber: AI48618
ChemicalName: 3-(4-Ethylphenyl)-1h-pyrazole-4-carbaldehyde
CasNumber: 350999-89-2
MolecularFormula: C12H12N2O
MolecularWeight: 200.2365
MdlNumber: MFCD01993814
Smiles: CCc1ccc(cc1)c1n[nH]cc1C=O
Complexity: 212
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 3
Xlogp3: 2.1
CatalogNumber:
AI48618
ChemicalName:
3-(4-Ethylphenyl)-1h-pyrazole-4-carbaldehyde
CasNumber:
350999-89-2
MolecularFormula:
C12H12N2O
MolecularWeight:
200.2365
MdlNumber:
MFCD01993814
Smiles:
CCc1ccc(cc1)c1n[nH]cc1C=O
Complexity:
212
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
3
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)Nc1cccc(c1)C(F)(F)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)Nc1cccc(c1)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: NC(=S)Cc1ccc(cc1)F
Complexity: 141
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: 1.5
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NC(=S)Cc1ccc(cc1)F
Complexity:
141
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
1.5
CatalogNumber: AI48621
ChemicalName: 4-(Difluoromethoxy)benzene-1-sulfonyl chloride
CasNumber: 351003-34-4
MolecularFormula: C7H5ClF2O3S
MolecularWeight: 242.6276
MdlNumber: MFCD03094156
Smiles: FC(Oc1ccc(cc1)S(=O)(=O)Cl)F
Complexity: 267
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 5
HydrogenBondDonorCount: __
RotatableBondCount: 3
Xlogp3: 2.9
CatalogNumber:
AI48621
ChemicalName:
4-(Difluoromethoxy)benzene-1-sulfonyl chloride
CasNumber:
351003-34-4
MolecularFormula:
C7H5ClF2O3S
MolecularWeight:
242.6276
MdlNumber:
MFCD03094156
Smiles:
FC(Oc1ccc(cc1)S(=O)(=O)Cl)F
Complexity:
267
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
5
HydrogenBondDonorCount:
__
RotatableBondCount:
3
Xlogp3:
2.9