Name: Name:1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)
Brand: Angene
SKU: AG006YYI
Rating: 90 (10 reviews)

1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)

CAS No.:

13548-68-0

Catalog Number:

AG006YYI

Molecular Formula:

C5H3ClN4O2

Molecular Weight:

186.5559

Catalog Number:

AG006YYI

Chemical Name:

1H-Purine-2,6-dione, 8-chloro-3,7-dihydro- (9CI)

CAS Number:

13548-68-0

Molecular Formula:

C5H3ClN4O2

Molecular Weight:

186.5559

MDL Number:

MFCD00056162

IUPAC Name:

8-chloro-3,7-dihydropurine-2,6-dione

InChI:

InChI=1S/C5H3ClN4O2/c6-4-7-1-2(8-4)9-5(12)10-3(1)11/h(H3,7,8,9,10,11,12)

InChI Key:

OZPCWWUKRLUQSS-UHFFFAOYSA-N

SMILES:

Clc1nc2c([nH]1)c(=O)[nH]c(=O)[nH]2

NSC Number:

45762

Complexity:

246

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.994g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.555g/mol

Monoisotopic Mass:

185.994g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.2