AB49643
56893-25-5 | 4-(2-Bromo-acetyl)-benzoic acid methyl ester
Manufacturer: A2B Chem
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CatalogNumber
AB49643
ChemicalName
4-(2-Bromo-acetyl)-benzoic acid methyl ester
CasNumber
56893-25-5
MolecularFormula
C10H9BrO3
MolecularWeight
257.0807
MdlNumber
MFCD08062347
Smiles
COC(=O)c1ccc(cc1)C(=O)CBr
Complexity
219
Covalently-bondedUnitCount
1
HeavyAtomCount
14
HydrogenBondAcceptorCount
3
RotatableBondCount
4
Xlogp3
2.7
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CatalogNumber: AB49643
ChemicalName: 4-(2-Bromo-acetyl)-benzoic acid methyl ester
CasNumber: 56893-25-5
MolecularFormula: C10H9BrO3
MolecularWeight: 257.0807
MdlNumber: MFCD08062347
Smiles: COC(=O)c1ccc(cc1)C(=O)CBr
Complexity: 219
Covalently-bondedUnitCount: 1
HeavyAtomCount: 14
HydrogenBondAcceptorCount: 3
RotatableBondCount: 4
Xlogp3: 2.7
CatalogNumber:
AB49643
ChemicalName:
4-(2-Bromo-acetyl)-benzoic acid methyl ester
CasNumber:
56893-25-5
MolecularFormula:
C10H9BrO3
MolecularWeight:
257.0807
MdlNumber:
MFCD08062347
Smiles:
COC(=O)c1ccc(cc1)C(=O)CBr
Complexity:
219
Covalently-bondedUnitCount:
1
HeavyAtomCount:
14
HydrogenBondAcceptorCount:
3
RotatableBondCount:
4
Xlogp3:
2.7
CatalogNumber: AB49644
ChemicalName: 4-N-Boc-2-oxo-piperazine-1-acetic acid
CasNumber: 549506-47-0
MolecularFormula: C11H18N2O5
MolecularWeight: 258.271
MdlNumber: MFCD04115297
Smiles: OC(=O)CN1CCN(CC1=O)C(=O)OC(C)(C)C
Complexity: 361
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: __
CatalogNumber:
AB49644
ChemicalName:
4-N-Boc-2-oxo-piperazine-1-acetic acid
CasNumber:
549506-47-0
MolecularFormula:
C11H18N2O5
MolecularWeight:
258.271
MdlNumber:
MFCD04115297
Smiles:
OC(=O)CN1CCN(CC1=O)C(=O)OC(C)(C)C
Complexity:
361
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: Brc1ccc(c(c1)C)Cl
Complexity: 94.9
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 4.1
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
Brc1ccc(c(c1)C)Cl
Complexity:
94.9
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
4.1
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CC(CC(CC(=O)C)C)C
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CC(CC(CC(=O)C)C)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__