Name: Name:8-CHLORO-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Brand: Angene
SKU: AG01DMIR
Rating: 90 (10 reviews)

8-CHLORO-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

CAS No.:

77350-93-7

Catalog Number:

AG01DMIR

Molecular Formula:

C6H5ClN4O2

Molecular Weight:

200.5825

Catalog Number:

AG01DMIR

Chemical Name:

8-CHLORO-3-ME-3,7-DIHYDRO-1H-PURINE-2,6-DIONE

CAS Number:

77350-93-7

Molecular Formula:

C6H5ClN4O2

Molecular Weight:

200.5825

MDL Number:

MFCD18452336

IUPAC Name:

8-chloro-3-methyl-7H-purine-2,6-dione

InChI:

InChI=1S/C6H5ClN4O2/c1-11-3-2(8-5(7)9-3)4(12)10-6(11)13/h1H3,(H,8,9)(H,10,12,13)

InChI Key:

ZQINVZROMLALDU-UHFFFAOYSA-N

SMILES:

Clc1nc2c([nH]1)n(C)c(=O)[nH]c2=O

Complexity:

271

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

200.01g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

200.582g/mol

Monoisotopic Mass:

200.01g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

78.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2