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1363381-59-2 | Ethanone, 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-
CAS No: 1363381-59-2 Catalog No: AG0011PO MDL No:MFCD22205848
Product Description
Catalog Number:
AG0011PO
Chemical Name:
Ethanone, 1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-
CAS Number:
1363381-59-2
Molecular Formula:
C8H6ClN3O
Molecular Weight:
195.6057
MDL Number:
MFCD22205848
IUPAC Name:
1-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-5-yl)ethanone
InChI:
InChI=1S/C8H6ClN3O/c1-4(13)5-2-10-8-6(5)7(9)11-3-12-8/h2-3H,1H3,(H,10,11,12)
InChI Key:
KXOFBMPFLUKIJL-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c2c1c(Cl)ncn2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.606g/mol
Monoisotopic Mass:
195.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
58.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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