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129872-85-1 | 4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-chloro-5-ethyl-3,5-dihydro-
CAS No: 129872-85-1 Catalog No: AG000TR0 MDL No:MFCD17013909
Product Description
Catalog Number:
AG000TR0
Chemical Name:
4H-Pyrrolo[3,2-d]pyrimidin-4-one, 2-chloro-5-ethyl-3,5-dihydro-
CAS Number:
129872-85-1
Molecular Formula:
C8H8ClN3O
Molecular Weight:
197.6216
MDL Number:
MFCD17013909
IUPAC Name:
2-chloro-5-ethyl-3H-pyrrolo[3,2-d]pyrimidin-4-one
InChI:
InChI=1S/C8H8ClN3O/c1-2-12-4-3-5-6(12)7(13)11-8(9)10-5/h3-4H,2H2,1H3,(H,10,11,13)
InChI Key:
DNRBPQVAJGNGEM-UHFFFAOYSA-N
SMILES:
CCn1ccc2c1c(=O)[nH]c(n2)Cl
Properties
Complexity:
266
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:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.622g/mol
Monoisotopic Mass:
197.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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