AA45391
129487-99-6 | tert-Butyl 6-nitro-2,3-dihydroindole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA45391
ChemicalName
tert-Butyl 6-nitro-2,3-dihydroindole-1-carboxylate
CasNumber
129487-99-6
MolecularFormula
C13H16N2O4
MolecularWeight
264.2771
MdlNumber
MFCD11617234
Smiles
O=C(N1CCc2c1cc(cc2)[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: AA45391
ChemicalName: tert-Butyl 6-nitro-2,3-dihydroindole-1-carboxylate
CasNumber: 129487-99-6
MolecularFormula: C13H16N2O4
MolecularWeight: 264.2771
MdlNumber: MFCD11617234
Smiles: O=C(N1CCc2c1cc(cc2)[N+](=O)[O-])OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AA45391
ChemicalName:
tert-Butyl 6-nitro-2,3-dihydroindole-1-carboxylate
CasNumber:
129487-99-6
MolecularFormula:
C13H16N2O4
MolecularWeight:
264.2771
MdlNumber:
MFCD11617234
Smiles:
O=C(N1CCc2c1cc(cc2)[N+](=O)[O-])OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.5
CatalogNumber: AA45392
ChemicalName: tert-Butyl 5-amino-2,3-dihydroindole-1-carboxylate
CasNumber: 129487-92-9
MolecularFormula: C13H18N2O2
MolecularWeight: 234.2942
MdlNumber: MFCD08059270
Smiles: Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity: 298
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 2
Xlogp3: 2
CatalogNumber:
AA45392
ChemicalName:
tert-Butyl 5-amino-2,3-dihydroindole-1-carboxylate
CasNumber:
129487-92-9
MolecularFormula:
C13H18N2O2
MolecularWeight:
234.2942
MdlNumber:
MFCD08059270
Smiles:
Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C
Complexity:
298
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
2
Xlogp3:
2
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Smiles: Cc1ncc([nH]1)C(=S)N
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Cc1ncc([nH]1)C(=S)N
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Smiles: c1ccc(nc1)c1[nH]nc(c1)c1ccccn1
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c1ccc(nc1)c1[nH]nc(c1)c1ccccn1
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HydrogenBondAcceptorCount:
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