AA97191
181867-24-3 | Ethyl-3-phenyl pyrazole-4-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA97191
ChemicalName
Ethyl-3-phenyl pyrazole-4-carboxylate
CasNumber
181867-24-3
MolecularFormula
C12H12N2O2
MolecularWeight
216.2359
MdlNumber
MFCD00228627
Smiles
CCOC(=O)c1c[nH]nc1c1ccccc1
NscNumber
115005
Complexity
239
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
3
HydrogenBondDonorCount
1
RotatableBondCount
4
Xlogp3
2.1
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CatalogNumber: AA97191
ChemicalName: Ethyl-3-phenyl pyrazole-4-carboxylate
CasNumber: 181867-24-3
MolecularFormula: C12H12N2O2
MolecularWeight: 216.2359
MdlNumber: MFCD00228627
Smiles: CCOC(=O)c1c[nH]nc1c1ccccc1
NscNumber: 115005
Complexity: 239
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 1
RotatableBondCount: 4
Xlogp3: 2.1
CatalogNumber:
AA97191
ChemicalName:
Ethyl-3-phenyl pyrazole-4-carboxylate
CasNumber:
181867-24-3
MolecularFormula:
C12H12N2O2
MolecularWeight:
216.2359
MdlNumber:
MFCD00228627
Smiles:
CCOC(=O)c1c[nH]nc1c1ccccc1
NscNumber:
115005
Complexity:
239
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
1
RotatableBondCount:
4
Xlogp3:
2.1
CatalogNumber: AA97192
ChemicalName: 1-Methyl-1h-benzimidazole-6-carboxaldehyde
CasNumber: 181867-19-6
MolecularFormula: C9H8N2O
MolecularWeight: 160.1726
MdlNumber: MFCD11977687
Smiles: Cn1cnc2c1cc(C=O)cc2
NscNumber: __
Complexity: 183
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: __
RotatableBondCount: 1
Xlogp3: 0.9
CatalogNumber:
AA97192
ChemicalName:
1-Methyl-1h-benzimidazole-6-carboxaldehyde
CasNumber:
181867-19-6
MolecularFormula:
C9H8N2O
MolecularWeight:
160.1726
MdlNumber:
MFCD11977687
Smiles:
Cn1cnc2c1cc(C=O)cc2
NscNumber:
__
Complexity:
183
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
__
RotatableBondCount:
1
Xlogp3:
0.9
CatalogNumber: AA97193
ChemicalName: (1-Methyl-1h-benzo[d]imidazol-6-yl)methanol
CasNumber: 181867-18-5
MolecularFormula: C9H10N2O
MolecularWeight: 162.1885
MdlNumber: MFCD11977685
Smiles: Cn1cnc2c1cc(CO)cc2
NscNumber: __
Complexity: 163
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.6
CatalogNumber:
AA97193
ChemicalName:
(1-Methyl-1h-benzo[d]imidazol-6-yl)methanol
CasNumber:
181867-18-5
MolecularFormula:
C9H10N2O
MolecularWeight:
162.1885
MdlNumber:
MFCD11977685
Smiles:
Cn1cnc2c1cc(CO)cc2
NscNumber:
__
Complexity:
163
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CO[Si](O[Si](OC)(C)C)(C)C
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CO[Si](O[Si](OC)(C)C)(C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__