Name: Name:7H-Purine, 2,6,8-trichloro-7-methyl-
Brand: Angene
SKU: AG001ULV
Rating: 90 (10 reviews)

7H-Purine, 2,6,8-trichloro-7-methyl-

CAS No.:

16404-16-3

Catalog Number:

AG001ULV

Molecular Formula:

C6H3Cl3N4

Molecular Weight:

237.4738

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Product Description

Catalog Number:

AG001ULV

Chemical Name:

7H-Purine, 2,6,8-trichloro-7-methyl-

CAS Number:

16404-16-3

Molecular Formula:

C6H3Cl3N4

Molecular Weight:

237.4738

MDL Number:

MFCD00055995

IUPAC Name:

2,6,8-trichloro-7-methylpurine

InChI:

InChI=1S/C6H3Cl3N4/c1-13-2-3(7)10-5(8)11-4(2)12-6(13)9/h1H3

InChI Key:

UMASKSWPRALKCL-UHFFFAOYSA-N

SMILES:

Clc1nc(Cl)c2c(n1)nc(n2C)Cl

NSC Number:

70891

Properties

Complexity:

204

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

235.942g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

237.468g/mol

Monoisotopic Mass:

235.942g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.9

Literature

Title	Journal
Sequential nucleophilic substitution on halogenated triazines, pyrimidines, and purines: a novel approach to cyclic peptidomimetics.	The Journal of organic chemistry 20010126