Name: Name:8H-Purin-8-one, 6-chloro-7,9-dihydro-7-(1-methylethyl)-
Brand: Angene
SKU: AG0017MB
Rating: 90 (10 reviews)

8H-Purin-8-one, 6-chloro-7,9-dihydro-7-(1-methylethyl)-

CAS No.:

1226804-22-3

Catalog Number:

AG0017MB

Molecular Formula:

C8H9ClN4O

Molecular Weight:

212.6363

Catalog Number:

AG0017MB

Chemical Name:

8H-Purin-8-one, 6-chloro-7,9-dihydro-7-(1-methylethyl)-

CAS Number:

1226804-22-3

Molecular Formula:

C8H9ClN4O

Molecular Weight:

212.6363

MDL Number:

MFCD24615681

IUPAC Name:

6-chloro-7-propan-2-yl-9H-purin-8-one

InChI:

InChI=1S/C8H9ClN4O/c1-4(2)13-5-6(9)10-3-11-7(5)12-8(13)14/h3-4H,1-2H3,(H,10,11,12,14)

InChI Key:

ZGMXLNRHNYAKHX-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1n(C(C)C)c(=O)[nH]2

Complexity:

248

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

212.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

212.637g/mol

Monoisotopic Mass:

212.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

58.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.1