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1226804-02-9 | 6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro-5,5-dimethyl-
CAS No: 1226804-02-9 Catalog No: AG0017MD MDL No:MFCD24615588
Product Description
Catalog Number:
AG0017MD
Chemical Name:
6H-Pyrrolo[2,3-d]pyrimidin-6-one, 4-chloro-5,7-dihydro-5,5-dimethyl-
CAS Number:
1226804-02-9
Molecular Formula:
C8H8ClN3O
Molecular Weight:
197.6216
MDL Number:
MFCD24615588
IUPAC Name:
4-chloro-5,5-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-6-one
InChI:
InChI=1S/C8H8ClN3O/c1-8(2)4-5(9)10-3-11-6(4)12-7(8)13/h3H,1-2H3,(H,10,11,12,13)
InChI Key:
KYBINFJRIXEZGI-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1(C)C)c(Cl)ncn2
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.622g/mol
Monoisotopic Mass:
197.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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