AA52438
1333146-86-3 | 3-(Benzyloxy)-5-bromo-1-methylpyridin-2(1h)-one
Manufacturer: A2B Chem
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CatalogNumber
AA52438
ChemicalName
3-(Benzyloxy)-5-bromo-1-methylpyridin-2(1h)-one
CasNumber
1333146-86-3
MolecularFormula
C13H12BrNO2
MolecularWeight
294.1439
MdlNumber
MFCD22570466
Smiles
Brc1cc(OCc2ccccc2)c(=O)n(c1)C
Complexity
356
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AA52438
ChemicalName: 3-(Benzyloxy)-5-bromo-1-methylpyridin-2(1h)-one
CasNumber: 1333146-86-3
MolecularFormula: C13H12BrNO2
MolecularWeight: 294.1439
MdlNumber: MFCD22570466
Smiles: Brc1cc(OCc2ccccc2)c(=O)n(c1)C
Complexity: 356
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AA52438
ChemicalName:
3-(Benzyloxy)-5-bromo-1-methylpyridin-2(1h)-one
CasNumber:
1333146-86-3
MolecularFormula:
C13H12BrNO2
MolecularWeight:
294.1439
MdlNumber:
MFCD22570466
Smiles:
Brc1cc(OCc2ccccc2)c(=O)n(c1)C
Complexity:
356
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AA52439
ChemicalName: 4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester
CasNumber: 1333122-75-0
MolecularFormula: C14H17BF2O4
MolecularWeight: 298.0902
MdlNumber: MFCD13176531
Smiles: COC(=O)c1cc(F)c(cc1B1OC(C(O1)(C)C)(C)C)F
Complexity: 400
Covalently-bondedUnitCount: 1
HeavyAtomCount: 21
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: __
CatalogNumber:
AA52439
ChemicalName:
4,5-Difluoro-2-(methoxycarbonyl)phenylboronic acid pinacol ester
CasNumber:
1333122-75-0
MolecularFormula:
C14H17BF2O4
MolecularWeight:
298.0902
MdlNumber:
MFCD13176531
Smiles:
COC(=O)c1cc(F)c(cc1B1OC(C(O1)(C)C)(C)C)F
Complexity:
400
Covalently-bondedUnitCount:
1
HeavyAtomCount:
21
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](c1ccnc2c1cccc2)N=C=S
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C=C[C@H]1CN2CC[C@H]1C[C@@H]2[C@@H](c1ccnc2c1cccc2)N=C=S
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA52441
ChemicalName: 2-(Boc-aminomethyl)benzyl alcohol
CasNumber: 1333114-86-5
MolecularFormula: C13H19NO3
MolecularWeight: 237.2949
MdlNumber: MFCD22418063
Smiles: OCc1ccccc1CNC(=O)OC(C)(C)C
Complexity: 248
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 5
Xlogp3: 1.5
CatalogNumber:
AA52441
ChemicalName:
2-(Boc-aminomethyl)benzyl alcohol
CasNumber:
1333114-86-5
MolecularFormula:
C13H19NO3
MolecularWeight:
237.2949
MdlNumber:
MFCD22418063
Smiles:
OCc1ccccc1CNC(=O)OC(C)(C)C
Complexity:
248
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
5
Xlogp3:
1.5