AA20066
1150114-81-0 | Methyl 2-bromo-5-(trifluoromethoxy)benzoate
Manufacturer: A2B Chem
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CatalogNumber
AA20066
ChemicalName
Methyl 2-bromo-5-(trifluoromethoxy)benzoate
CasNumber
1150114-81-0
MolecularFormula
C9H6BrF3O3
MolecularWeight
299.0413
MdlNumber
MFCD12025999
Smiles
COC(=O)c1cc(ccc1Br)OC(F)(F)F
Complexity
257
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
6
RotatableBondCount
3
Xlogp3
4.7
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CatalogNumber: AA20066
ChemicalName: Methyl 2-bromo-5-(trifluoromethoxy)benzoate
CasNumber: 1150114-81-0
MolecularFormula: C9H6BrF3O3
MolecularWeight: 299.0413
MdlNumber: MFCD12025999
Smiles: COC(=O)c1cc(ccc1Br)OC(F)(F)F
Complexity: 257
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 6
RotatableBondCount: 3
Xlogp3: 4.7
CatalogNumber:
AA20066
ChemicalName:
Methyl 2-bromo-5-(trifluoromethoxy)benzoate
CasNumber:
1150114-81-0
MolecularFormula:
C9H6BrF3O3
MolecularWeight:
299.0413
MdlNumber:
MFCD12025999
Smiles:
COC(=O)c1cc(ccc1Br)OC(F)(F)F
Complexity:
257
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
6
RotatableBondCount:
3
Xlogp3:
4.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccc2c(c1)n(C)nc2)O
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccc2c(c1)n(C)nc2)O
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OB(c1ccnc(c1Br)F)O
Complexity: 140
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OB(c1ccnc(c1Br)F)O
Complexity:
140
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA20069
ChemicalName: 2-Chloro-5-formylphenylboronic acid
CasNumber: 1150114-78-5
MolecularFormula: C7H6BClO3
MolecularWeight: 184.3847
MdlNumber: MFCD06656269
Smiles: O=Cc1ccc(c(c1)B(O)O)Cl
Complexity: 165
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: __
CatalogNumber:
AA20069
ChemicalName:
2-Chloro-5-formylphenylboronic acid
CasNumber:
1150114-78-5
MolecularFormula:
C7H6BClO3
MolecularWeight:
184.3847
MdlNumber:
MFCD06656269
Smiles:
O=Cc1ccc(c(c1)B(O)O)Cl
Complexity:
165
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
__