AB50043
1189757-62-7 | 5-Bromo-3-methoxypyridin-2(1h)-one
Manufacturer: A2B Chem
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CatalogNumber
AB50043
ChemicalName
5-Bromo-3-methoxypyridin-2(1h)-one
CasNumber
1189757-62-7
MolecularFormula
C6H6BrNO2
MolecularWeight
204.0213
MdlNumber
MFCD17676138
Smiles
COc1cc(Br)c[nH]c1=O
Complexity
220
Covalently-bondedUnitCount
1
HeavyAtomCount
10
HydrogenBondAcceptorCount
2
HydrogenBondDonorCount
1
RotatableBondCount
1
Xlogp3
0.8
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CatalogNumber: AB50043
ChemicalName: 5-Bromo-3-methoxypyridin-2(1h)-one
CasNumber: 1189757-62-7
MolecularFormula: C6H6BrNO2
MolecularWeight: 204.0213
MdlNumber: MFCD17676138
Smiles: COc1cc(Br)c[nH]c1=O
Complexity: 220
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
HydrogenBondDonorCount: 1
RotatableBondCount: 1
Xlogp3: 0.8
CatalogNumber:
AB50043
ChemicalName:
5-Bromo-3-methoxypyridin-2(1h)-one
CasNumber:
1189757-62-7
MolecularFormula:
C6H6BrNO2
MolecularWeight:
204.0213
MdlNumber:
MFCD17676138
Smiles:
COc1cc(Br)c[nH]c1=O
Complexity:
220
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
HydrogenBondDonorCount:
1
RotatableBondCount:
1
Xlogp3:
0.8
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: C[N+](C)(C)C.O.O.O.O.[F-]
Complexity: 19.1
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
C[N+](C)(C)C.O.O.O.O.[F-]
Complexity:
19.1
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCCCCC(=O)N1CCC[C@H]1c1cccnc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCCCCC(=O)N1CCC[C@H]1c1cccnc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O
Complexity: 446
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
HydrogenBondDonorCount: __
RotatableBondCount: __
Xlogp3: -1.9
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC[C@H]1O[C@H]([C@H]([C@@H]1O)O)n1cnc2c1nc(N)[nH]c2=O
Complexity:
446
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.9