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1220517-99-6 | 7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-7-(2-fluoroethyl)-
CAS No: 1220517-99-6 Catalog No: AG0016O8 MDL No:
Product Description
Catalog Number:
AG0016O8
Chemical Name:
7H-Pyrrolo[2,3-d]pyrimidine, 2,4-dichloro-7-(2-fluoroethyl)-
CAS Number:
1220517-99-6
Molecular Formula:
C8H6Cl2FN3
Molecular Weight:
234.0577
IUPAC Name:
2,4-dichloro-7-(2-fluoroethyl)pyrrolo[2,3-d]pyrimidine
InChI:
InChI=1S/C8H6Cl2FN3/c9-6-5-1-3-14(4-2-11)7(5)13-8(10)12-6/h1,3H,2,4H2
InChI Key:
XGJZRSSMPLGXDD-UHFFFAOYSA-N
SMILES:
FCCn1ccc2c1nc(Cl)nc2Cl
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.992g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.055g/mol
Monoisotopic Mass:
232.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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