AB20869
229015-76-3 | Ethyl 5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AB20869
ChemicalName
Ethyl 5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylate
CasNumber
229015-76-3
MolecularFormula
C13H14N2O3
MolecularWeight
246.26185999999996
MdlNumber
MFCD04170369
Smiles
CCOC(=O)c1[nH]nc(c1)c1ccc(cc1)OC
Complexity
277
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
HydrogenBondDonorCount
1
RotatableBondCount
5
Xlogp3
2.4
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CatalogNumber: AB20869
ChemicalName: Ethyl 5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylate
CasNumber: 229015-76-3
MolecularFormula: C13H14N2O3
MolecularWeight: 246.26185999999996
MdlNumber: MFCD04170369
Smiles: CCOC(=O)c1[nH]nc(c1)c1ccc(cc1)OC
Complexity: 277
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
HydrogenBondDonorCount: 1
RotatableBondCount: 5
Xlogp3: 2.4
CatalogNumber:
AB20869
ChemicalName:
Ethyl 5-(4-methoxyphenyl)-2H-pyrazole-3-carboxylate
CasNumber:
229015-76-3
MolecularFormula:
C13H14N2O3
MolecularWeight:
246.26185999999996
MdlNumber:
MFCD04170369
Smiles:
CCOC(=O)c1[nH]nc(c1)c1ccc(cc1)OC
Complexity:
277
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
HydrogenBondDonorCount:
1
RotatableBondCount:
5
Xlogp3:
2.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)[C@@H]1N[C@@H]2C[C@H]1CC2.Cl
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)[C@@H]1N[C@@H]2C[C@H]1CC2.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB20872
ChemicalName: 4-(Piperidino)phenylboronic acid
CasNumber: 229009-42-1
MolecularFormula: C11H16BNO2
MolecularWeight: 205.0612
MdlNumber: MFCD03410255
Smiles: OB(c1ccc(cc1)N1CCCCC1)O
Complexity: 187
Covalently-bondedUnitCount: 2
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB20872
ChemicalName:
4-(Piperidino)phenylboronic acid
CasNumber:
229009-42-1
MolecularFormula:
C11H16BNO2
MolecularWeight:
205.0612
MdlNumber:
MFCD03410255
Smiles:
OB(c1ccc(cc1)N1CCCCC1)O
Complexity:
187
Covalently-bondedUnitCount:
2
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
3
RotatableBondCount:
2
Xlogp3:
__
CatalogNumber: AB20873
ChemicalName: (4-Pyrrolidin-1-ylphenyl)boronic acid
CasNumber: 229009-41-0
MolecularFormula: C10H14BNO2
MolecularWeight: 191.03466000000003
MdlNumber: MFCD03095137
Smiles: OB(c1ccc(cc1)N1CCCC1)O
Complexity: 175
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
HydrogenBondDonorCount: 2
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AB20873
ChemicalName:
(4-Pyrrolidin-1-ylphenyl)boronic acid
CasNumber:
229009-41-0
MolecularFormula:
C10H14BNO2
MolecularWeight:
191.03466000000003
MdlNumber:
MFCD03095137
Smiles:
OB(c1ccc(cc1)N1CCCC1)O
Complexity:
175
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
HydrogenBondDonorCount:
2
RotatableBondCount:
2
Xlogp3:
__