2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine


Chemical Name: 2-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CAS Number: 1192711-88-8
Product Number: AG000IHS(AGN-PC-0D672O)
Synonyms:
MDL No:
Molecular Formula: C6H5ClN4
Molecular Weight: 168.5837

Identification/Properties


Computed Properties
Molecular Weight:
168.584g/mol
XLogP3:
1.3
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.02g/mol
Monoisotopic Mass:
168.02g/mol
Topological Polar Surface Area:
67.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
154
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:
Danger
UN#:
2811
Hazard Statements:
H301
Precautionary Statements:
P301+P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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