AA56356
1226808-72-5 | Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
Manufacturer: A2B Chem
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CatalogNumber
AA56356
ChemicalName
Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
CasNumber
1226808-72-5
MolecularFormula
C11H11BrF2O2
MolecularWeight
293.1046
MdlNumber
MFCD16295090
Smiles
CCOC(=O)C(c1cc(Br)ccc1C)(F)F
Complexity
258
Covalently-bondedUnitCount
1
HeavyAtomCount
16
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
3.9
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CatalogNumber: AA56356
ChemicalName: Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
CasNumber: 1226808-72-5
MolecularFormula: C11H11BrF2O2
MolecularWeight: 293.1046
MdlNumber: MFCD16295090
Smiles: CCOC(=O)C(c1cc(Br)ccc1C)(F)F
Complexity: 258
Covalently-bondedUnitCount: 1
HeavyAtomCount: 16
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.9
CatalogNumber:
AA56356
ChemicalName:
Ethyl 2-(5-bromo-2-methylphenyl)-2,2-difluoroacetate
CasNumber:
1226808-72-5
MolecularFormula:
C11H11BrF2O2
MolecularWeight:
293.1046
MdlNumber:
MFCD16295090
Smiles:
CCOC(=O)C(c1cc(Br)ccc1C)(F)F
Complexity:
258
Covalently-bondedUnitCount:
1
HeavyAtomCount:
16
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(COC(=O)N1CCN(CC1)c1ccc(cc1)Br)C
Complexity: 309
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(COC(=O)N1CCN(CC1)c1ccc(cc1)Br)C
Complexity:
309
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Fc1cc2sc(=S)[nH]c2nc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Fc1cc2sc(=S)[nH]c2nc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AA56359
ChemicalName: 3-Bromo-5-propoxybenzoic acid
CasNumber: 1226808-68-9
MolecularFormula: C10H11BrO3
MolecularWeight: 259.0965
MdlNumber: MFCD16295104
Smiles: CCCOc1cc(Br)cc(c1)C(=O)O
Complexity: 196
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 3
CatalogNumber:
AA56359
ChemicalName:
3-Bromo-5-propoxybenzoic acid
CasNumber:
1226808-68-9
MolecularFormula:
C10H11BrO3
MolecularWeight:
259.0965
MdlNumber:
MFCD16295104
Smiles:
CCCOc1cc(Br)cc(c1)C(=O)O
Complexity:
196
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
3