AE28263
1187318-53-1 | Methyl 3-bromo-5-fluoro-2-methylbenzoate
Manufacturer: A2B Chem
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CatalogNumber
AE28263
ChemicalName
Methyl 3-bromo-5-fluoro-2-methylbenzoate
CasNumber
1187318-53-1
MolecularFormula
C9H8BrFO2
MolecularWeight
247.06102319999997
MdlNumber
MFCD19440363
Smiles
COC(=O)c1cc(F)cc(c1C)Br
Complexity
198
Covalently-bondedUnitCount
1
HeavyAtomCount
13
HydrogenBondAcceptorCount
3
RotatableBondCount
2
Xlogp3
2.9
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CatalogNumber: AE28263
ChemicalName: Methyl 3-bromo-5-fluoro-2-methylbenzoate
CasNumber: 1187318-53-1
MolecularFormula: C9H8BrFO2
MolecularWeight: 247.06102319999997
MdlNumber: MFCD19440363
Smiles: COC(=O)c1cc(F)cc(c1C)Br
Complexity: 198
Covalently-bondedUnitCount: 1
HeavyAtomCount: 13
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2.9
CatalogNumber:
AE28263
ChemicalName:
Methyl 3-bromo-5-fluoro-2-methylbenzoate
CasNumber:
1187318-53-1
MolecularFormula:
C9H8BrFO2
MolecularWeight:
247.06102319999997
MdlNumber:
MFCD19440363
Smiles:
COC(=O)c1cc(F)cc(c1C)Br
Complexity:
198
Covalently-bondedUnitCount:
1
HeavyAtomCount:
13
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2.9
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Smiles: Clc1c(ccc2c1cccc2)B1OC(C(O1)(C)C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
Clc1c(ccc2c1cccc2)B1OC(C(O1)(C)C)(C)C
Complexity:
__
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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Smiles: NC1CCN(CC1)Cc1ccc(cc1)C#N.Cl.Cl
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Smiles:
NC1CCN(CC1)Cc1ccc(cc1)C#N.Cl.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: COC(=O)c1ccc(cc1Cl)N1CCN(CC1)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)c1ccc(cc1Cl)N1CCN(CC1)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__