AA77770
1557780-95-6 | tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AA77770
ChemicalName
tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate
CasNumber
1557780-95-6
MolecularFormula
C13H13ClINO2
MolecularWeight
377.6053
MdlNumber
MFCD21608455
Smiles
O=C(n1cc(c2c1cc(Cl)cc2)I)OC(C)(C)C
Complexity
331
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
2
RotatableBondCount
2
Xlogp3
4.5
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CatalogNumber: AA77770
ChemicalName: tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate
CasNumber: 1557780-95-6
MolecularFormula: C13H13ClINO2
MolecularWeight: 377.6053
MdlNumber: MFCD21608455
Smiles: O=C(n1cc(c2c1cc(Cl)cc2)I)OC(C)(C)C
Complexity: 331
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 2
RotatableBondCount: 2
Xlogp3: 4.5
CatalogNumber:
AA77770
ChemicalName:
tert-Butyl 6-chloro-3-iodo-1h-indole-1-carboxylate
CasNumber:
1557780-95-6
MolecularFormula:
C13H13ClINO2
MolecularWeight:
377.6053
MdlNumber:
MFCD21608455
Smiles:
O=C(n1cc(c2c1cc(Cl)cc2)I)OC(C)(C)C
Complexity:
331
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
2
RotatableBondCount:
2
Xlogp3:
4.5
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Smiles: N1CC2(C1)CNC2.Cl
Complexity: __
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HeavyAtomCount: __
HydrogenBondAcceptorCount: __
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Xlogp3: __
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Smiles:
N1CC2(C1)CNC2.Cl
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CN1CCN(CC1)C1CCC(=O)CC1
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Smiles:
CN1CCN(CC1)C1CCC(=O)CC1
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Smiles: CN1CCN(CC1)C1CCC2(CC1)OCCO2
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Smiles:
CN1CCN(CC1)C1CCC2(CC1)OCCO2
Complexity:
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Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
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