AA40761
1311484-45-3 | 4-Methyl-8-(3-nitrocyclohexyl)-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
Manufacturer: A2B Chem
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CatalogNumber
AA40761
ChemicalName
4-Methyl-8-(3-nitrocyclohexyl)-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
CasNumber
1311484-45-3
MolecularFormula
C11H11BN2O6
MolecularWeight
278.0258
MdlNumber
MFCD11215228
Smiles
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)[N+](=O)[O-]
Complexity
392
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
7
RotatableBondCount
1
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CatalogNumber: AA40761
ChemicalName: 4-Methyl-8-(3-nitrocyclohexyl)-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
CasNumber: 1311484-45-3
MolecularFormula: C11H11BN2O6
MolecularWeight: 278.0258
MdlNumber: MFCD11215228
Smiles: B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)[N+](=O)[O-]
Complexity: 392
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 7
RotatableBondCount: 1
CatalogNumber:
AA40761
ChemicalName:
4-Methyl-8-(3-nitrocyclohexyl)-2,6-dioxohexahydro-[1,3,2]oxazaborolo[2,3-b][1,3,2]oxazaborol-4-ium-8-uide
CasNumber:
1311484-45-3
MolecularFormula:
C11H11BN2O6
MolecularWeight:
278.0258
MdlNumber:
MFCD11215228
Smiles:
B1(OC(=O)CN(CC(=O)O1)C)C2=CC(=CC=C2)[N+](=O)[O-]
Complexity:
392
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
7
RotatableBondCount:
1
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Smiles: CO[C@H]1C[C@@H](O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)OC)O)C)O[C@H]1[C@@H](OC)C[C@@H](O[C@@H]1C)O[C@H]1[C@H](OC)CC(=O)O[C@@H]1C
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CO[C@H]1C[C@@H](O[C@@H]([C@H]1O[C@H]1C[C@H](OC)[C@@H]([C@H](O1)C)O[C@@H]1O[C@H](C)[C@@H]([C@@H]([C@H]1O)OC)O)C)O[C@H]1[C@@H](OC)C[C@@H](O[C@@H]1C)O[C@H]1[C@H](OC)CC(=O)O[C@@H]1C
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Smiles: O/N=C/c1cccc(c1)Oc1ccccc1
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O/N=C/c1cccc(c1)Oc1ccccc1
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HydrogenBondAcceptorCount:
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