AI29191
129488-25-1 | tert-Butyl 5-nitro-2,3-dihydroindole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AI29191
ChemicalName
tert-Butyl 5-nitro-2,3-dihydroindole-1-carboxylate
CasNumber
129488-25-1
MolecularFormula
C13H16N2O4
MolecularWeight
264.2771
MdlNumber
MFCD11617233
Smiles
O=C(N1CCc2c1ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity
372
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AI29191
ChemicalName: tert-Butyl 5-nitro-2,3-dihydroindole-1-carboxylate
CasNumber: 129488-25-1
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD11617233
Smiles: O=C(N1CCc2c1ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AI29191
ChemicalName:
tert-Butyl 5-nitro-2,3-dihydroindole-1-carboxylate
CasNumber:
129488-25-1
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD11617233
Smiles:
O=C(N1CCc2c1ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: C[SiH]([C]1[CH][CH][CH][CH]1)C.C[SiH]([C]1[CH][CH][CH][CH]1)C.[Fe]
Complexity: __
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Smiles:
C[SiH]([C]1[CH][CH][CH][CH]1)C.C[SiH]([C]1[CH][CH][CH][CH]1)C.[Fe]
Complexity:
__
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Smiles: CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)c1ccccc1
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Smiles:
CCS[C@@H]1O[C@@H]2COC(O[C@H]2[C@@H]([C@H]1N1C(=O)c2c(C1=O)cccc2)OCc1ccccc1)c1ccccc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__
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Smiles: OC(=O)C=Cc1c[nH]nc1
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
RotatableBondCount: __
Xlogp3: __
CatalogNumber:
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
OC(=O)C=Cc1c[nH]nc1
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__