4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid


Chemical Name: 4-Chloro-5H-pyrrolo[3,2-d]pyrimidine-7-carboxylic acid
CAS Number: 1019056-31-5
Product Number: AG0005W6(AGN-PC-0WAA9K)
Synonyms:
MDL No:
Molecular Formula: C7H4ClN3O2
Molecular Weight: 197.5786

Identification/Properties


Computed Properties
Molecular Weight:
197.578g/mol
XLogP3:
0.9
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
196.999g/mol
Monoisotopic Mass:
196.999g/mol
Topological Polar Surface Area:
78.9A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
226
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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