AD30867
193269-82-8 | 1,3-Dioxo-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindol-2(3h)-yl 4-nitrobenzyl carbonate
Manufacturer: A2B Chem
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CatalogNumber
AD30867
ChemicalName
1,3-Dioxo-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindol-2(3h)-yl 4-nitrobenzyl carbonate
CasNumber
193269-82-8
MolecularFormula
C17H14N2O7
MolecularWeight
358.3023
MdlNumber
MFCD23701439
Smiles
O=C(ON1C(=O)C2C(C1=O)C1CC2C=C1)OCc1ccc(cc1)[N+](=O)[O-]
Complexity
647
Covalently-bondedUnitCount
1
HeavyAtomCount
26
HydrogenBondAcceptorCount
7
RotatableBondCount
5
UndefinedAtomStereocenterCount
4
Xlogp3
2.1
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CatalogNumber: AD30867
ChemicalName: 1,3-Dioxo-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindol-2(3h)-yl 4-nitrobenzyl carbonate
CasNumber: 193269-82-8
MolecularFormula: C17H14N2O7
MolecularWeight: 358.3023
MdlNumber: MFCD23701439
Smiles: O=C(ON1C(=O)C2C(C1=O)C1CC2C=C1)OCc1ccc(cc1)[N+](=O)[O-]
Complexity: 647
Covalently-bondedUnitCount: 1
HeavyAtomCount: 26
HydrogenBondAcceptorCount: 7
RotatableBondCount: 5
UndefinedAtomStereocenterCount: 4
Xlogp3: 2.1
CatalogNumber:
AD30867
ChemicalName:
1,3-Dioxo-3a,4,7,7a-tetrahydro-1h-4,7-methanoisoindol-2(3h)-yl 4-nitrobenzyl carbonate
CasNumber:
193269-82-8
MolecularFormula:
C17H14N2O7
MolecularWeight:
358.3023
MdlNumber:
MFCD23701439
Smiles:
O=C(ON1C(=O)C2C(C1=O)C1CC2C=C1)OCc1ccc(cc1)[N+](=O)[O-]
Complexity:
647
Covalently-bondedUnitCount:
1
HeavyAtomCount:
26
HydrogenBondAcceptorCount:
7
RotatableBondCount:
5
UndefinedAtomStereocenterCount:
4
Xlogp3:
2.1
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Smiles: CP(=O)(OC1CCCCC1)O
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CP(=O)(OC1CCCCC1)O
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Smiles: S=C(Nc1ccccc1Cl)Nc1ccccc1
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S=C(Nc1ccccc1Cl)Nc1ccccc1
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Smiles: O=C(Nc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
UndefinedAtomStereocenterCount: __
Xlogp3: __
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__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
__
Smiles:
O=C(Nc1ccccc1)Nc1ccc(cc1)[N+](=O)[O-]
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
UndefinedAtomStereocenterCount:
__
Xlogp3:
__