AC30787
820236-81-5 | Methyl 2-bromo-6-fluorobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AC30787
ChemicalName
Methyl 2-bromo-6-fluorobenzoate
CasNumber
820236-81-5
MolecularFormula
C8H6BrFO2
MolecularWeight
233.0344
MdlNumber
MFCD10000922
Smiles
COC(=O)c1c(F)cccc1Br
Complexity
174
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
1.6
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CatalogNumber: AC30787
ChemicalName: Methyl 2-bromo-6-fluorobenzoate
CasNumber: 820236-81-5
MolecularFormula: C8H6BrFO2
MolecularWeight: 233.0344
MdlNumber: MFCD10000922
Smiles: COC(=O)c1c(F)cccc1Br
Complexity: 174
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 1.6
CatalogNumber:
AC30787
ChemicalName:
Methyl 2-bromo-6-fluorobenzoate
CasNumber:
820236-81-5
MolecularFormula:
C8H6BrFO2
MolecularWeight:
233.0344
MdlNumber:
MFCD10000922
Smiles:
COC(=O)c1c(F)cccc1Br
Complexity:
174
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
1.6
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Smiles: OC(=O)c1ccc(c2c1OCCCO2)F
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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Smiles:
OC(=O)c1ccc(c2c1OCCCO2)F
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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Smiles: CCOC(=O)c1cnc(nc1N)c1ccccc1OC
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Smiles:
CCOC(=O)c1cnc(nc1N)c1ccccc1OC
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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Smiles: OC1C[C@@H]([C@H](C1)OCc1ccccc1)OCc1ccccc1.CC(=O)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
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MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC1C[C@@H]([C@H](C1)OCc1ccccc1)OCc1ccccc1.CC(=O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__