AE32363
1202864-54-7 | tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
Manufacturer: A2B Chem
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CatalogNumber
AE32363
ChemicalName
tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CasNumber
1202864-54-7
MolecularFormula
C11H11BrClN3O2
MolecularWeight
332.5809
MdlNumber
MFCD15144827
Smiles
O=C(n1cc(c2c1ncnc2Cl)Br)OC(C)(C)C
Complexity
337
Covalently-bondedUnitCount
1
HeavyAtomCount
18
HydrogenBondAcceptorCount
4
RotatableBondCount
2
Xlogp3
3.5
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CatalogNumber: AE32363
ChemicalName: tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CasNumber: 1202864-54-7
MolecularFormula: C11H11BrClN3O2
MolecularWeight: 332.5809
MdlNumber: MFCD15144827
Smiles: O=C(n1cc(c2c1ncnc2Cl)Br)OC(C)(C)C
Complexity: 337
Covalently-bondedUnitCount: 1
HeavyAtomCount: 18
HydrogenBondAcceptorCount: 4
RotatableBondCount: 2
Xlogp3: 3.5
CatalogNumber:
AE32363
ChemicalName:
tert-Butyl 5-bromo-4-chloropyrrolo[2,3-d]pyrimidine-7-carboxylate
CasNumber:
1202864-54-7
MolecularFormula:
C11H11BrClN3O2
MolecularWeight:
332.5809
MdlNumber:
MFCD15144827
Smiles:
O=C(n1cc(c2c1ncnc2Cl)Br)OC(C)(C)C
Complexity:
337
Covalently-bondedUnitCount:
1
HeavyAtomCount:
18
HydrogenBondAcceptorCount:
4
RotatableBondCount:
2
Xlogp3:
3.5
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Smiles: OC(=O)C(=O)O.Cc1ncsc1CCN
Complexity: __
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HydrogenBondAcceptorCount: __
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Smiles:
OC(=O)C(=O)O.Cc1ncsc1CCN
Complexity:
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Smiles: CCNC1CCN(CC1)C(=O)OC(C)(C)C.Cl
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CCNC1CCN(CC1)C(=O)OC(C)(C)C.Cl
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HydrogenBondAcceptorCount:
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RotatableBondCount:
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Smiles: CCC1CNCCN1C(=O)OC(C)(C)C.Cl
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HydrogenBondAcceptorCount: __
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ChemicalName:
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CasNumber:
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MolecularFormula:
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MolecularWeight:
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MdlNumber:
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Smiles:
CCC1CNCCN1C(=O)OC(C)(C)C.Cl
Complexity:
__
Covalently-bondedUnitCount:
__
HeavyAtomCount:
__
HydrogenBondAcceptorCount:
__
RotatableBondCount:
__
Xlogp3:
__