AF89642
354587-63-6 | 1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate
Manufacturer: A2B Chem
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CatalogNumber
AF89642
ChemicalName
1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate
CasNumber
354587-63-6
MolecularFormula
C15H17NO4
MolecularWeight
275.2998
MdlNumber
MFCD11109853
Smiles
COC(=O)c1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C
Complexity
388
Covalently-bondedUnitCount
1
HeavyAtomCount
20
HydrogenBondAcceptorCount
4
RotatableBondCount
4
Xlogp3
3.1
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CatalogNumber: AF89642
ChemicalName: 1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate
CasNumber: 354587-63-6
MolecularFormula: C15H17NO4
MolecularWeight: 275.2998
MdlNumber: MFCD11109853
Smiles: COC(=O)c1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C
Complexity: 388
Covalently-bondedUnitCount: 1
HeavyAtomCount: 20
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AF89642
ChemicalName:
1-tert-Butyl 6-methyl 1H-indole-1,6-dicarboxylate
CasNumber:
354587-63-6
MolecularFormula:
C15H17NO4
MolecularWeight:
275.2998
MdlNumber:
MFCD11109853
Smiles:
COC(=O)c1ccc2c(c1)n(cc2)C(=O)OC(C)(C)C
Complexity:
388
Covalently-bondedUnitCount:
1
HeavyAtomCount:
20
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.1
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Smiles: OCCNCCc1c[nH]c2c1cccc2
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Smiles:
OCCNCCc1c[nH]c2c1cccc2
Complexity:
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RotatableBondCount:
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Smiles: COc1cc(Br)c(cc1C)N
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Smiles:
COc1cc(Br)c(cc1C)N
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RotatableBondCount:
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Smiles: N#Cc1ccccc1COC(=O)C
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CatalogNumber:
__
ChemicalName:
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CasNumber:
__
MolecularFormula:
__
MolecularWeight:
__
MdlNumber:
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Smiles:
N#Cc1ccccc1COC(=O)C
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__