AA88576
166104-19-4 | tert-butyl 5-nitroindole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA88576
ChemicalName
tert-butyl 5-nitroindole-1-carboxylate
CasNumber
166104-19-4
MolecularFormula
C13H14N2O4
MolecularWeight
262.2613
MdlNumber
MFCD09953094
Smiles
[O-][N+](=O)c1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Complexity
372
Covalently-bondedUnitCount
1
HeavyAtomCount
19
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.1
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CatalogNumber: AA88576
ChemicalName: tert-butyl 5-nitroindole-1-carboxylate
CasNumber: 166104-19-4
MolecularFormula: C13H14N2O4
MolecularWeight: 262.2613
MdlNumber: MFCD09953094
Smiles: [O-][N+](=O)c1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Complexity: 372
Covalently-bondedUnitCount: 1
HeavyAtomCount: 19
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.1
CatalogNumber:
AA88576
ChemicalName:
tert-butyl 5-nitroindole-1-carboxylate
CasNumber:
166104-19-4
MolecularFormula:
C13H14N2O4
MolecularWeight:
262.2613
MdlNumber:
MFCD09953094
Smiles:
[O-][N+](=O)c1ccc2c(c1)ccn2C(=O)OC(C)(C)C
Complexity:
372
Covalently-bondedUnitCount:
1
HeavyAtomCount:
19
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.1
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Smiles: CCCCCC=CCC=CCC=CCC=CCCC(C(=O)NCCF)C
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
CCCCCC=CCC=CCC=CCC=CCCC(C(=O)NCCF)C
Complexity:
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HydrogenBondAcceptorCount:
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Smiles: CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCF
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Smiles:
CCCCCC=CCC=CCC=CCC=CCCCC(=O)NCCF
Complexity:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCCCCCCCCCCCCCCc1cccc(c1C(=O)O)O
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HydrogenBondAcceptorCount: __
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MolecularFormula:
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Smiles:
CCCCCCCCCCCCCCCc1cccc(c1C(=O)O)O
Complexity:
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Covalently-bondedUnitCount:
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HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
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Xlogp3:
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