AE98437
186390-79-4 | tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE98437
ChemicalName
tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber
186390-79-4
MolecularFormula
C14H18N2O4
MolecularWeight
278.3037
MdlNumber
MFCD09864789
Smiles
O=C(N1CCc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity
386
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
2.5
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CatalogNumber: AE98437
ChemicalName: tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber: 186390-79-4
MolecularFormula: C14H18N2O4
MolecularWeight: 278.3037
MdlNumber: MFCD09864789
Smiles: O=C(N1CCc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity: 386
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 2.5
CatalogNumber:
AE98437
ChemicalName:
tert-Butyl 6-nitro-3,4-dihydroisoquinoline-2(1H)-carboxylate
CasNumber:
186390-79-4
MolecularFormula:
C14H18N2O4
MolecularWeight:
278.3037
MdlNumber:
MFCD09864789
Smiles:
O=C(N1CCc2c(C1)ccc(c2)[N+](=O)[O-])OC(C)(C)C
Complexity:
386
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
2.5
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Smiles: N[C@H]1CCN(C1)Cc1ccc(cc1)Cl.Cl.Cl
Complexity: __
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Smiles:
N[C@H]1CCN(C1)Cc1ccc(cc1)Cl.Cl.Cl
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Smiles: ClCC1CO1.C=CCNCCCCCC[N+](C)(C)C.CCCCCCCCCCNCC=C.NCC=C.[Cl-].Cl
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Smiles:
ClCC1CO1.C=CCNCCCCCC[N+](C)(C)C.CCCCCCCCCCNCC=C.NCC=C.[Cl-].Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__