AB13122
19171-18-7 | 2-(2,6-Dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
Manufacturer: A2B Chem
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CatalogNumber
AB13122
ChemicalName
2-(2,6-Dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
CasNumber
19171-18-7
MolecularFormula
C13H9N3O6
MolecularWeight
303.22706000000005
MdlNumber
MFCD01748356
Smiles
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2N(=O)=O
Complexity
583
Covalently-bondedUnitCount
1
HeavyAtomCount
22
HydrogenBondAcceptorCount
6
HydrogenBondDonorCount
1
RotatableBondCount
1
UndefinedAtomStereocenterCount
1
Xlogp3
0.2
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CatalogNumber: AB13122
ChemicalName: 2-(2,6-Dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
CasNumber: 19171-18-7
MolecularFormula: C13H9N3O6
MolecularWeight: 303.22706000000005
MdlNumber: MFCD01748356
Smiles: O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2N(=O)=O
Complexity: 583
Covalently-bondedUnitCount: 1
HeavyAtomCount: 22
HydrogenBondAcceptorCount: 6
HydrogenBondDonorCount: 1
RotatableBondCount: 1
UndefinedAtomStereocenterCount: 1
Xlogp3: 0.2
CatalogNumber:
AB13122
ChemicalName:
2-(2,6-Dioxopiperidin-3-yl)-4-nitroisoindoline-1,3-dione
CasNumber:
19171-18-7
MolecularFormula:
C13H9N3O6
MolecularWeight:
303.22706000000005
MdlNumber:
MFCD01748356
Smiles:
O=C1CCC(C(=O)N1)N1C(=O)c2c(C1=O)cccc2N(=O)=O
Complexity:
583
Covalently-bondedUnitCount:
1
HeavyAtomCount:
22
HydrogenBondAcceptorCount:
6
HydrogenBondDonorCount:
1
RotatableBondCount:
1
UndefinedAtomStereocenterCount:
1
Xlogp3:
0.2
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Smiles: CCCCCCC(OC(=O)COc1ccc(cc1Cl)Cl)C
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CCCCCCC(OC(=O)COc1ccc(cc1Cl)Cl)C
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Smiles: CCCCCOC(=O)COc1ccc(cc1Cl)Cl
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Smiles:
CCCCCOC(=O)COc1ccc(cc1Cl)Cl
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HydrogenBondAcceptorCount:
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Smiles: CCOCc1ccc(o1)C=O
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Smiles:
CCOCc1ccc(o1)C=O
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
HydrogenBondDonorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
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