AE17527
1131587-97-7 | Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AE17527
ChemicalName
Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate
CasNumber
1131587-97-7
MolecularFormula
C10H8BrF3O3
MolecularWeight
313.0679
MdlNumber
MFCD11110856
Smiles
COC(=O)c1cc(Br)c(cc1OC)C(F)(F)F
Complexity
283
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
3.3
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CatalogNumber: AE17527
ChemicalName: Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate
CasNumber: 1131587-97-7
MolecularFormula: C10H8BrF3O3
MolecularWeight: 313.0679
MdlNumber: MFCD11110856
Smiles: COC(=O)c1cc(Br)c(cc1OC)C(F)(F)F
Complexity: 283
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 3.3
CatalogNumber:
AE17527
ChemicalName:
Methyl 5-bromo-2-methoxy-4-(trifluoromethyl)benzoate
CasNumber:
1131587-97-7
MolecularFormula:
C10H8BrF3O3
MolecularWeight:
313.0679
MdlNumber:
MFCD11110856
Smiles:
COC(=O)c1cc(Br)c(cc1OC)C(F)(F)F
Complexity:
283
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
3.3
CatalogNumber: __
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MolecularFormula: __
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Smiles: COc1ccc2c(c1/C=C/C(O)(C)C)oc(=O)cc2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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Smiles:
COc1ccc2c(c1/C=C/C(O)(C)C)oc(=O)cc2
Complexity:
__
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__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: COc1cc2CCCC[C@@H]([C@H](Cc3cc(-c(c1O)c2)c(O)cc3)O)O
Complexity: __
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Smiles:
COc1cc2CCCC[C@@H]([C@H](Cc3cc(-c(c1O)c2)c(O)cc3)O)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: NCCCCN(C(=O)OC(C)(C)C)C.Cl
Complexity: __
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HydrogenBondAcceptorCount: __
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Xlogp3: __
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
NCCCCN(C(=O)OC(C)(C)C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__