AB46517
41841-16-1 | Methyl 4-bromophenylacetate
Manufacturer: A2B Chem
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CatalogNumber
AB46517
ChemicalName
Methyl 4-bromophenylacetate
CasNumber
41841-16-1
MolecularFormula
C9H9BrO2
MolecularWeight
229.0706
MdlNumber
MFCD00126844
Smiles
COC(=O)Cc1ccc(cc1)Br
NscNumber
245163
Complexity
151
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
2.5
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CatalogNumber: AB46517
ChemicalName: Methyl 4-bromophenylacetate
CasNumber: 41841-16-1
MolecularFormula: C9H9BrO2
MolecularWeight: 229.0706
MdlNumber: MFCD00126844
Smiles: COC(=O)Cc1ccc(cc1)Br
NscNumber: 245163
Complexity: 151
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 2.5
CatalogNumber:
AB46517
ChemicalName:
Methyl 4-bromophenylacetate
CasNumber:
41841-16-1
MolecularFormula:
C9H9BrO2
MolecularWeight:
229.0706
MdlNumber:
MFCD00126844
Smiles:
COC(=O)Cc1ccc(cc1)Br
NscNumber:
245163
Complexity:
151
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
2.5
CatalogNumber: AB46518
ChemicalName: Methyl 4-chloro-3-methylbenzoate
CasNumber: 91367-05-4
MolecularFormula: C9H9ClO2
MolecularWeight: 184.6196
MdlNumber: MFCD00151838
Smiles: COC(=O)c1ccc(c(c1)C)Cl
NscNumber: __
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 3.3
CatalogNumber:
AB46518
ChemicalName:
Methyl 4-chloro-3-methylbenzoate
CasNumber:
91367-05-4
MolecularFormula:
C9H9ClO2
MolecularWeight:
184.6196
MdlNumber:
MFCD00151838
Smiles:
COC(=O)c1ccc(c(c1)C)Cl
NscNumber:
__
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
3.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
NscNumber: __
Complexity: 240
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 2.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
NscNumber:
__
Complexity:
240
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
2.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: ClCC(=O)CC(=O)OC
NscNumber: __
Complexity: 121
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 0.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
ClCC(=O)CC(=O)OC
NscNumber:
__
Complexity:
121
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
0.6