AG65615
59247-47-1 | tert-Butyl 4-bromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AG65615
ChemicalName
tert-Butyl 4-bromobenzoate
CasNumber
59247-47-1
MolecularFormula
C11H13BrO2
MolecularWeight
257.1237
MdlNumber
MFCD00093266
Smiles
O=C(c1ccc(cc1)Br)OC(C)(C)C
Complexity
200
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
2
RotatableBondCount
3
Xlogp3
3.5
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CatalogNumber: AG65615
ChemicalName: tert-Butyl 4-bromobenzoate
CasNumber: 59247-47-1
MolecularFormula: C11H13BrO2
MolecularWeight: 257.1237
MdlNumber: MFCD00093266
Smiles: O=C(c1ccc(cc1)Br)OC(C)(C)C
Complexity: 200
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 2
RotatableBondCount: 3
Xlogp3: 3.5
CatalogNumber:
AG65615
ChemicalName:
tert-Butyl 4-bromobenzoate
CasNumber:
59247-47-1
MolecularFormula:
C11H13BrO2
MolecularWeight:
257.1237
MdlNumber:
MFCD00093266
Smiles:
O=C(c1ccc(cc1)Br)OC(C)(C)C
Complexity:
200
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
2
RotatableBondCount:
3
Xlogp3:
3.5
CatalogNumber: AG65616
ChemicalName: 4-Cyclohexyl-3-oxo-butyric acid ethyl ester
CasNumber: 64127-44-2
MolecularFormula: C12H20O3
MolecularWeight: 212.2854
MdlNumber: MFCD03844429
Smiles: CCOC(=O)CC(=O)CC1CCCCC1
Complexity: 217
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 3
RotatableBondCount: 6
Xlogp3: 3
CatalogNumber:
AG65616
ChemicalName:
4-Cyclohexyl-3-oxo-butyric acid ethyl ester
CasNumber:
64127-44-2
MolecularFormula:
C12H20O3
MolecularWeight:
212.2854
MdlNumber:
MFCD03844429
Smiles:
CCOC(=O)CC(=O)CC1CCCCC1
Complexity:
217
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
3
RotatableBondCount:
6
Xlogp3:
3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1CN(CCC1=O)Cc1ccccc1
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1CN(CCC1=O)Cc1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)C1NCCN(C1)C(=O)OCc1ccccc1
Complexity: 329
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: -1.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)C1NCCN(C1)C(=O)OCc1ccccc1
Complexity:
329
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
-1.7