AB72944
51760-21-5 | Dimethyl 5-bromoisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AB72944
ChemicalName
Dimethyl 5-bromoisophthalate
CasNumber
51760-21-5
MolecularFormula
C10H9BrO4
MolecularWeight
273.0801
MdlNumber
MFCD00078709
Smiles
COC(=O)c1cc(Br)cc(c1)C(=O)OC
Complexity
230
Covalently-bondedUnitCount
1
HeavyAtomCount
15
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
2.3
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CatalogNumber: AB72944
ChemicalName: Dimethyl 5-bromoisophthalate
CasNumber: 51760-21-5
MolecularFormula: C10H9BrO4
MolecularWeight: 273.0801
MdlNumber: MFCD00078709
Smiles: COC(=O)c1cc(Br)cc(c1)C(=O)OC
Complexity: 230
Covalently-bondedUnitCount: 1
HeavyAtomCount: 15
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 2.3
CatalogNumber:
AB72944
ChemicalName:
Dimethyl 5-bromoisophthalate
CasNumber:
51760-21-5
MolecularFormula:
C10H9BrO4
MolecularWeight:
273.0801
MdlNumber:
MFCD00078709
Smiles:
COC(=O)c1cc(Br)cc(c1)C(=O)OC
Complexity:
230
Covalently-bondedUnitCount:
1
HeavyAtomCount:
15
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
2.3
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: O=C=Nc1cc(cc(c1)C(=O)OC)C(=O)OC
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C=Nc1cc(cc(c1)C(=O)OC)C(=O)OC
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: COC(=O)C1C2C=CC(C1C(=O)OC)C2
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
COC(=O)C1C2C=CC(C1C(=O)OC)C2
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
CatalogNumber: AB72947
ChemicalName: Dimethyl allylmalonate
CasNumber: 40637-56-7
MolecularFormula: C8H12O4
MolecularWeight: 172.1785
MdlNumber: MFCD00014959
Smiles: COC(=O)C(C(=O)OC)CC=C
Complexity: 170
Covalently-bondedUnitCount: 1
HeavyAtomCount: 12
HydrogenBondAcceptorCount: 4
RotatableBondCount: 6
Xlogp3: 1.3
CatalogNumber:
AB72947
ChemicalName:
Dimethyl allylmalonate
CasNumber:
40637-56-7
MolecularFormula:
C8H12O4
MolecularWeight:
172.1785
MdlNumber:
MFCD00014959
Smiles:
COC(=O)C(C(=O)OC)CC=C
Complexity:
170
Covalently-bondedUnitCount:
1
HeavyAtomCount:
12
HydrogenBondAcceptorCount:
4
RotatableBondCount:
6
Xlogp3:
1.3