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


Chemical Name: 2,4,5-Trichloro-7H-pyrrolo[2,3-d]pyrimidine
CAS Number: 1053228-28-6
Product Number: AG0038CI(AGN-PC-09MQSF)
Synonyms:
MDL No: MFCD13193620
Molecular Formula: C6H2Cl3N3
Molecular Weight: 222.4592

Identification/Properties


Computed Properties
Molecular Weight:
222.453g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
220.931g/mol
Monoisotopic Mass:
220.931g/mol
Topological Polar Surface Area:
41.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
179
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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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