4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine


Chemical Name: 4-chloro-5-ethyl-7H-pyrrolo[2,3-d]pyrimidine
CAS Number: 1004992-44-2
Product Number: AG00024N(AGN-PC-0GXCX9)
Synonyms:
MDL No:
Molecular Formula: C8H8ClN3
Molecular Weight: 181.6222

Identification/Properties


Computed Properties
Molecular Weight:
181.623g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
181.041g/mol
Monoisotopic Mass:
181.041g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
164
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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