AA39705
1306763-53-0 | Methyl 3-bromo-5-(trifluoromethoxy)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA39705
ChemicalName
Methyl 3-bromo-5-(trifluoromethoxy)benzoate
CasNumber
1306763-53-0
MolecularFormula
C9H6BrF3O3
MolecularWeight
299.0413
MdlNumber
MFCD09999511
Smiles
COC(=O)c1cc(cc(c1)Br)OC(F)(F)F
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
3.6
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CatalogNumber: AA39705
ChemicalName: Methyl 3-bromo-5-(trifluoromethoxy)benzoate
CasNumber: 1306763-53-0
MolecularFormula: C9H6BrF3O3
MolecularWeight: 299.0413
MdlNumber: MFCD09999511
Smiles: COC(=O)c1cc(cc(c1)Br)OC(F)(F)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 3.6
CatalogNumber:
AA39705
ChemicalName:
Methyl 3-bromo-5-(trifluoromethoxy)benzoate
CasNumber:
1306763-53-0
MolecularFormula:
C9H6BrF3O3
MolecularWeight:
299.0413
MdlNumber:
MFCD09999511
Smiles:
COC(=O)c1cc(cc(c1)Br)OC(F)(F)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
3.6
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MolecularFormula: __
MolecularWeight: __
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Smiles: N#Cc1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
N#Cc1cccc2c1CC[C@@H]2NC(=O)OC(C)(C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Xlogp3:
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Smiles: N#Cc1cccc2c1CC[C@H]2N.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
N#Cc1cccc2c1CC[C@H]2N.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularFormula: __
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Smiles: N#Cc1cccc2c1CC[C@H]2O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
N#Cc1cccc2c1CC[C@H]2O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__