AF36895
2080-80-0 | Ethyl 3-methyl-1-p-tolyl-1H-pyrazole-5-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF36895
ChemicalName
Ethyl 3-methyl-1-p-tolyl-1H-pyrazole-5-carboxylate
CasNumber
2080-80-0
MolecularFormula
C14H16N2O2
MolecularWeight
244.289
MdlNumber
MFCD06408981
Smiles
CCOC(=O)c1cc(nn1c1ccc(cc1)C)C
Complexity
288
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
3.2
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CatalogNumber: AF36895
ChemicalName: Ethyl 3-methyl-1-p-tolyl-1H-pyrazole-5-carboxylate
CasNumber: 2080-80-0
MolecularFormula: C14H16N2O2
MolecularWeight: 244.289
MdlNumber: MFCD06408981
Smiles: CCOC(=O)c1cc(nn1c1ccc(cc1)C)C
Complexity: 288
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3.2
CatalogNumber:
AF36895
ChemicalName:
Ethyl 3-methyl-1-p-tolyl-1H-pyrazole-5-carboxylate
CasNumber:
2080-80-0
MolecularFormula:
C14H16N2O2
MolecularWeight:
244.289
MdlNumber:
MFCD06408981
Smiles:
CCOC(=O)c1cc(nn1c1ccc(cc1)C)C
Complexity:
288
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3.2
CatalogNumber: AF36896
ChemicalName: 3-(4-Fluorophenoxy)phenylboronic acid
CasNumber: 283173-82-0
MolecularFormula: C12H10BFO3
MolecularWeight: 232.0154
MdlNumber: MFCD14584726
Smiles: Fc1ccc(cc1)Oc1cccc(c1)B(O)O
Complexity: 232
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AF36896
ChemicalName:
3-(4-Fluorophenoxy)phenylboronic acid
CasNumber:
283173-82-0
MolecularFormula:
C12H10BFO3
MolecularWeight:
232.0154
MdlNumber:
MFCD14584726
Smiles:
Fc1ccc(cc1)Oc1cccc(c1)B(O)O
Complexity:
232
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COCCCOc1ccc(cc1)B(O)O
Complexity: 158
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COCCCOc1ccc(cc1)B(O)O
Complexity:
158
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1cc(OC)cc(c1B1OC(C(O1)(C)C)(C)C)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1cc(OC)cc(c1B1OC(C(O1)(C)C)(C)C)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__