AA48210
13290-96-5 | Dimethyl 5-nitroisophthalate
Manufacturer: A2B Chem
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CatalogNumber
AA48210
ChemicalName
Dimethyl 5-nitroisophthalate
CasNumber
13290-96-5
MolecularFormula
C10H9NO6
MolecularWeight
239.18156000000002
MdlNumber
MFCD00008429
Smiles
COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC
NscNumber
93786
Complexity
299
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
6
RotatableBondCount
4
Xlogp3
1.9
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CatalogNumber: AA48210
ChemicalName: Dimethyl 5-nitroisophthalate
CasNumber: 13290-96-5
MolecularFormula: C10H9NO6
MolecularWeight: 239.18156000000002
MdlNumber: MFCD00008429
Smiles: COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC
NscNumber: 93786
Complexity: 299
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 6
RotatableBondCount: 4
Xlogp3: 1.9
CatalogNumber:
AA48210
ChemicalName:
Dimethyl 5-nitroisophthalate
CasNumber:
13290-96-5
MolecularFormula:
C10H9NO6
MolecularWeight:
239.18156000000002
MdlNumber:
MFCD00008429
Smiles:
COC(=O)c1cc(cc(c1)[N+](=O)[O-])C(=O)OC
NscNumber:
93786
Complexity:
299
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
6
RotatableBondCount:
4
Xlogp3:
1.9
CatalogNumber: __
ChemicalName: __
CasNumber: __
MolecularFormula: __
MolecularWeight: __
MdlNumber: __
Smiles: [O-][N+](=O)c1ccc(c(c1)C)Cl
NscNumber: __
Complexity: 157
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: 3.3
CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
[O-][N+](=O)c1ccc(c(c1)C)Cl
NscNumber:
__
Complexity:
157
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
3.3
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ChemicalName: __
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MolecularFormula: __
MolecularWeight: __
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Smiles: CN(CC1CCC(C1=O)CN(C)C)C
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Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
__
MdlNumber:
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Smiles:
CN(CC1CCC(C1=O)CN(C)C)C
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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ChemicalName: __
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MolecularWeight: __
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Smiles: OCCSc1ccc(cc1)OC
NscNumber: __
Complexity: __
Covalently-bondedUnitCount: __
HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
__
ChemicalName:
__
CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
OCCSc1ccc(cc1)OC
NscNumber:
__
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__