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1630906-40-9 | Cyclohexanol, 4-(5-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, trans-
CAS No: 1630906-40-9 Catalog No: AG001TPB MDL No:MFCD27987955
Product Description
Catalog Number:
AG001TPB
Chemical Name:
Cyclohexanol, 4-(5-bromo-2-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-, trans-
CAS Number:
1630906-40-9
Molecular Formula:
C12H13BrClN3O
Molecular Weight:
330.6081
MDL Number:
MFCD27987955
IUPAC Name:
4-(5-bromo-2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclohexan-1-ol
InChI:
InChI=1S/C12H13BrClN3O/c13-10-6-17(7-1-3-8(18)4-2-7)11-9(10)5-15-12(14)16-11/h5-8,18H,1-4H2
InChI Key:
VLPKMHQJURMLAN-UHFFFAOYSA-N
SMILES:
O[C@@H]1CC[C@H](CC1)n1cc(c2c1nc(Cl)nc2)Br
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.993g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.61g/mol
Monoisotopic Mass:
328.993g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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