AE82049
193975-33-6 | Ethyl 4-chloro-8-iodoquinoline-3-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE82049
ChemicalName
Ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CasNumber
193975-33-6
MolecularFormula
C12H9ClINO2
MolecularWeight
361.5628
MdlNumber
MFCD09991531
Smiles
CCOC(=O)c1cnc2c(c1Cl)cccc2I
Complexity
290
Covalently-bondedUnitCount
1
HeavyAtomCount
17
HydrogenBondAcceptorCount
3
RotatableBondCount
3
Xlogp3
3.7
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CatalogNumber: AE82049
ChemicalName: Ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CasNumber: 193975-33-6
MolecularFormula: C12H9ClINO2
MolecularWeight: 361.5628
MdlNumber: MFCD09991531
Smiles: CCOC(=O)c1cnc2c(c1Cl)cccc2I
Complexity: 290
Covalently-bondedUnitCount: 1
HeavyAtomCount: 17
HydrogenBondAcceptorCount: 3
RotatableBondCount: 3
Xlogp3: 3.7
CatalogNumber:
AE82049
ChemicalName:
Ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CasNumber:
193975-33-6
MolecularFormula:
C12H9ClINO2
MolecularWeight:
361.5628
MdlNumber:
MFCD09991531
Smiles:
CCOC(=O)c1cnc2c(c1Cl)cccc2I
Complexity:
290
Covalently-bondedUnitCount:
1
HeavyAtomCount:
17
HydrogenBondAcceptorCount:
3
RotatableBondCount:
3
Xlogp3:
3.7
CatalogNumber: AE82050
ChemicalName: 5-Bromo-2-(hydroxymethyl)phenol
CasNumber: 170434-11-4
MolecularFormula: C7H7BrO2
MolecularWeight: 203.0333
MdlNumber: MFCD08445665
Smiles: OCc1ccc(cc1O)Br
Complexity: 108
Covalently-bondedUnitCount: 1
HeavyAtomCount: 10
HydrogenBondAcceptorCount: 2
RotatableBondCount: 1
Xlogp3: 1.9
CatalogNumber:
AE82050
ChemicalName:
5-Bromo-2-(hydroxymethyl)phenol
CasNumber:
170434-11-4
MolecularFormula:
C7H7BrO2
MolecularWeight:
203.0333
MdlNumber:
MFCD08445665
Smiles:
OCc1ccc(cc1O)Br
Complexity:
108
Covalently-bondedUnitCount:
1
HeavyAtomCount:
10
HydrogenBondAcceptorCount:
2
RotatableBondCount:
1
Xlogp3:
1.9
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Smiles: O=C(OC(C)(C)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ncn(c1)C(=O)OC(C)(C)C
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O=C(OC(C)(C)C)N[C@H](C(=O)N1CCC[C@H]1C(=O)O)Cc1ncn(c1)C(=O)OC(C)(C)C
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Smiles: COC(=O)[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C
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Smiles:
COC(=O)[C@H]1CNC[C@H]1NC(=O)OC(C)(C)C
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