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Home > Bromides > 1392804-15-7
1392804-15-7 | 7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-2-chloro-7-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-
CAS No: 1392804-15-7 Catalog No: AG001AN7 MDL No:MFCD23106204
Product Description
Catalog Number:
AG001AN7
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 5-bromo-2-chloro-7-[trans-4-[[(1,1-dimethylethyl)dimethylsilyl]oxy]cyclohexyl]-
CAS Number:
1392804-15-7
Molecular Formula:
C18H27BrClN3OSi
Molecular Weight:
444.8690
MDL Number:
MFCD23106204
IUPAC Name:
[4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexyl]oxy-tert-butyl-dimethylsilane
InChI:
InChI=1S/C18H27BrClN3OSi/c1-18(2,3)25(4,5)24-13-8-6-12(7-9-13)23-11-15(19)14-10-21-17(20)22-16(14)23/h10-13H,6-9H2,1-5H3
InChI Key:
OSQDMXXINHBHBJ-UHFFFAOYSA-N
SMILES:
CC([Si](O[C@@H]1CC[C@H](CC1)n1cc(c2c1nc(Cl)nc2)Br)(C)C)(C)C
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
443.08g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
444.873g/mol
Monoisotopic Mass:
443.08g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
39.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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