AB49053
57381-43-8 | Methyl 2,5-dibromobenzoate
Manufacturer: A2B Chem
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CatalogNumber
AB49053
ChemicalName
Methyl 2,5-dibromobenzoate
CasNumber
57381-43-8
MolecularFormula
C8H6Br2O2
MolecularWeight
293.94
MdlNumber
MFCD00144757
Smiles
COC(=O)c1cc(Br)ccc1Br
Complexity
172
Covalently-bondedUnitCount
1
HeavyAtomCount
12
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
4.2
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CatalogNumber: AB49053
ChemicalName: Methyl 2,5-dibromobenzoate
CasNumber: 57381-43-8
MolecularFormula: C8H6Br2O2
MolecularWeight: 293.94
MdlNumber: MFCD00144757
Smiles: COC(=O)c1cc(Br)ccc1Br
Complexity: 172
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 4.2
CatalogNumber:
AB49053
ChemicalName:
Methyl 2,5-dibromobenzoate
CasNumber:
57381-43-8
MolecularFormula:
C8H6Br2O2
MolecularWeight:
293.94
MdlNumber:
MFCD00144757
Smiles:
COC(=O)c1cc(Br)ccc1Br
Complexity:
172
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
4.2
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: OC(=O)CCCCCCCCCCCCCCC(=O)O
Complexity: 225
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 5.4
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OC(=O)CCCCCCCCCCCCCCC(=O)O
Complexity:
225
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
5.4
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COc1ccc(c(c1)S)N
Complexity: 110
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 1.6
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COc1ccc(c(c1)S)N
Complexity:
110
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
1.6
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: CCOC(=O)c1c(N)scc1c1ccccc1
Complexity: 266
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.7
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
CCOC(=O)c1c(N)scc1c1ccccc1
Complexity:
266
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.7