AV18578
116140-28-4 | Ethyl 5-phenylnicotinate
Manufacturer: A2B Chem
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CatalogNumber
AV18578
ChemicalName
Ethyl 5-phenylnicotinate
CasNumber
116140-28-4
MolecularFormula
C14H13NO2
MolecularWeight
227.2585
MdlNumber
MFCD18416763
Smiles
CCOC(=O)c1cncc(c1)c1ccccc1
Complexity
249
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AV18578
ChemicalName: Ethyl 5-phenylnicotinate
CasNumber: 116140-28-4
MolecularFormula: C14H13NO2
MolecularWeight: 227.2585
MdlNumber: MFCD18416763
Smiles: CCOC(=O)c1cncc(c1)c1ccccc1
Complexity: 249
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AV18578
ChemicalName:
Ethyl 5-phenylnicotinate
CasNumber:
116140-28-4
MolecularFormula:
C14H13NO2
MolecularWeight:
227.2585
MdlNumber:
MFCD18416763
Smiles:
CCOC(=O)c1cncc(c1)c1ccccc1
Complexity:
249
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCCc1ccccc1C1CCN(CC1)C(=O)OC(C)(C)C
Complexity: 356
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCc1ccccc1C1CCN(CC1)C(=O)OC(C)(C)C
Complexity:
356
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1c(I)ccc(c1F)Br
Complexity: 203
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.2
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1c(I)ccc(c1F)Br
Complexity:
203
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.2
CatalogNumber: AV18581
ChemicalName: 4-Chloro-2-(methoxycarbonyl)phenylboronic acid pinacol ester
CasNumber: 866625-02-7
MolecularFormula: C14H18BClO4
MolecularWeight: 296.5543
MdlNumber: MFCD16996244
Smiles: COC(=O)c1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Complexity: 369
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AV18581
ChemicalName:
4-Chloro-2-(methoxycarbonyl)phenylboronic acid pinacol ester
CasNumber:
866625-02-7
MolecularFormula:
C14H18BClO4
MolecularWeight:
296.5543
MdlNumber:
MFCD16996244
Smiles:
COC(=O)c1cc(Cl)ccc1B1OC(C(O1)(C)C)(C)C
Complexity:
369
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
3
Xlogp3:
__