AB72942
69048-70-0 | Dimethyl 4-nitroisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AB72942
ChemicalName
Dimethyl 4-nitroisophthalate
CasNumber
69048-70-0
MolecularFormula
C10H9NO6
MolecularWeight
239.1816
MdlNumber
MFCD00177948
Smiles
COC(=O)c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Complexity
323
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
1.5
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CatalogNumber: AB72942
ChemicalName: Dimethyl 4-nitroisophthalate
CasNumber: 69048-70-0
MolecularFormula: C10H9NO6
MolecularWeight: 239.1816
MdlNumber: MFCD00177948
Smiles: COC(=O)c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 1.5
CatalogNumber:
AB72942
ChemicalName:
Dimethyl 4-nitroisophthalate
CasNumber:
69048-70-0
MolecularFormula:
C10H9NO6
MolecularWeight:
239.1816
MdlNumber:
MFCD00177948
Smiles:
COC(=O)c1ccc(c(c1)C(=O)OC)[N+](=O)[O-]
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
1.5
CatalogNumber: AB72943
ChemicalName: 1,2-Dimethyl 4-nitrophthalate
CasNumber: 610-22-0
MolecularFormula: C10H9NO6
MolecularWeight: 239.1816
MdlNumber: MFCD00017191
Smiles: COC(=O)c1cc(ccc1C(=O)OC)[N+](=O)[O-]
Complexity: 323
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 1.4
CatalogNumber:
AB72943
ChemicalName:
1,2-Dimethyl 4-nitrophthalate
CasNumber:
610-22-0
MolecularFormula:
C10H9NO6
MolecularWeight:
239.1816
MdlNumber:
MFCD00017191
Smiles:
COC(=O)c1cc(ccc1C(=O)OC)[N+](=O)[O-]
Complexity:
323
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
1.4
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
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Smiles: O=C=Nc1cc(cc(c1)C(=O)OC)C(=O)OC
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HeavyAtomCount:
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HydrogenBondAcceptorCount:
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