AI51168
5000-65-7 | 2-Bromo-1-(3-methoxyphenyl)ethanone
Manufacturer: A2B Chem
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CatalogNumber
AI51168
ChemicalName
2-Bromo-1-(3-methoxyphenyl)ethanone
CasNumber
5000-65-7
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD00000199
Smiles
BrCC(=O)c1cccc(c1)OC
NscNumber
405833
Complexity
159
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.6
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CatalogNumber: AI51168
ChemicalName: 2-Bromo-1-(3-methoxyphenyl)ethanone
CasNumber: 5000-65-7
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD00000199
Smiles: BrCC(=O)c1cccc(c1)OC
NscNumber: 405833
Complexity: 159
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.6
CatalogNumber:
AI51168
ChemicalName:
2-Bromo-1-(3-methoxyphenyl)ethanone
CasNumber:
5000-65-7
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD00000199
Smiles:
BrCC(=O)c1cccc(c1)OC
NscNumber:
405833
Complexity:
159
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Oc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
NscNumber: __
Complexity: 346
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Oc1cccc(c1)CN1CCN(CC1)C(=O)OC(C)(C)C
NscNumber:
__
Complexity:
346
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OCC(NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O)(CO)CO
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCC(NCC(Cn1c2ccc(cc2c2c1ccc(c2)Cl)Cl)O)(CO)CO
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC12CC3CC(C1)CC(C2)(C3)O
NscNumber: __
Complexity: 190
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.8
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC12CC3CC(C1)CC(C2)(C3)O
NscNumber:
__
Complexity:
190
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.8