AA44136
128577-47-9 | Methyl 4-(bromomethyl)-3-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AA44136
ChemicalName
Methyl 4-(bromomethyl)-3-fluorobenzoate
CasNumber
128577-47-9
MolecularFormula
C9H8BrFO2
MolecularWeight
247.061
MdlNumber
MFCD00273345
Smiles
COC(=O)c1ccc(c(c1)F)CBr
Complexity
187
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
2.4
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CatalogNumber: AA44136
ChemicalName: Methyl 4-(bromomethyl)-3-fluorobenzoate
CasNumber: 128577-47-9
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.061
MdlNumber: MFCD00273345
Smiles: COC(=O)c1ccc(c(c1)F)CBr
Complexity: 187
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 2.4
CatalogNumber:
AA44136
ChemicalName:
Methyl 4-(bromomethyl)-3-fluorobenzoate
CasNumber:
128577-47-9
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.061
MdlNumber:
MFCD00273345
Smiles:
COC(=O)c1ccc(c(c1)F)CBr
Complexity:
187
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
2.4
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Smiles: CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OS(=O)(=O)C6=CC=C(C=C6)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C54)OS(=O)(=O)C6=CC=C(C=C6)C
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
C1=CC=C2C(=C1)C=CC(=C2C3=C(C=CC4=CC=CC=C43)OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)C[C@H](C(=O)O)NC(=O)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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ChemicalName:
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MolecularFormula:
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MolecularWeight:
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Smiles:
OC(=O)C[C@H](C(=O)O)NC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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