AE62778
1244855-76-2 | 4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
Manufacturer: A2B Chem
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CatalogNumber
AE62778
ChemicalName
4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
CasNumber
1244855-76-2
MolecularFormula
C11H11ClIN3O2
MolecularWeight
379.5814
MdlNumber
MFCD20922795
Smiles
O=C(n1cc(c2c1ncnc2Cl)I)OC(C)(C)C
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AE62778
ChemicalName: 4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
CasNumber: 1244855-76-2
MolecularFormula: C11H11ClIN3O2
MolecularWeight: 379.5814
MdlNumber: MFCD20922795
Smiles: O=C(n1cc(c2c1ncnc2Cl)I)OC(C)(C)C
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE62778
ChemicalName:
4-Chloro-5-iodo-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid tert-butyl ester
CasNumber:
1244855-76-2
MolecularFormula:
C11H11ClIN3O2
MolecularWeight:
379.5814
MdlNumber:
MFCD20922795
Smiles:
O=C(n1cc(c2c1ncnc2Cl)I)OC(C)(C)C
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.5
CatalogNumber: AE62779
ChemicalName: Methyl 4-(tert-butylamino)-3-nitrobenzoate
CasNumber: 1415819-82-7
MolecularFormula: C12H16N2O4
MolecularWeight: 252.2664
MdlNumber: MFCD22586696
Smiles: COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity: 319
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 5
RotatableBondCount: 4
Xlogp3: 3.1
CatalogNumber:
AE62779
ChemicalName:
Methyl 4-(tert-butylamino)-3-nitrobenzoate
CasNumber:
1415819-82-7
MolecularFormula:
C12H16N2O4
MolecularWeight:
252.2664
MdlNumber:
MFCD22586696
Smiles:
COC(=O)c1ccc(c(c1)[N+](=O)[O-])NC(C)(C)C
Complexity:
319
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
5
RotatableBondCount:
4
Xlogp3:
3.1
CatalogNumber: AE62780
ChemicalName: 1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber: 1423037-53-9
MolecularFormula: C18H19NO3S
MolecularWeight: 329.4134
MdlNumber: MFCD23135934
Smiles: OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity: 437
Covalently-bondedUnitCount: 1
HeavyAtomCount: 23
HydrogenBondAcceptorCount: 4
RotatableBondCount: 4
Xlogp3: 3.8
CatalogNumber:
AE62780
ChemicalName:
1-BOC-3-[hydroxy(thiophen-2-yl)methyl]indole
CasNumber:
1423037-53-9
MolecularFormula:
C18H19NO3S
MolecularWeight:
329.4134
MdlNumber:
MFCD23135934
Smiles:
OC(c1cn(c2c1cccc2)C(=O)OC(C)(C)C)c1cccs1
Complexity:
437
Covalently-bondedUnitCount:
1
HeavyAtomCount:
23
HydrogenBondAcceptorCount:
4
RotatableBondCount:
4
Xlogp3:
3.8
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Smiles: Brc1cccc2c1c(N)nn2C
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