Name: Name:9H-Purine-9-acetic acid, 2-amino-6-chloro-
Brand: Angene
SKU: AG001LML
Rating: 90 (10 reviews)

9H-Purine-9-acetic acid, 2-amino-6-chloro-

CAS No.:

149376-70-5

Catalog Number:

AG001LML

Molecular Formula:

C7H6ClN5O2

Molecular Weight:

227.6078

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Product Description

Catalog Number:

AG001LML

Chemical Name:

9H-Purine-9-acetic acid, 2-amino-6-chloro-

CAS Number:

149376-70-5

Molecular Formula:

C7H6ClN5O2

Molecular Weight:

227.6078

MDL Number:

MFCD01321350

IUPAC Name:

2-(2-amino-6-chloropurin-9-yl)acetic acid

InChI:

InChI=1S/C7H6ClN5O2/c8-5-4-6(12-7(9)11-5)13(2-10-4)1-3(14)15/h2H,1H2,(H,14,15)(H2,9,11,12)

InChI Key:

LRZBBTTUKFVUMZ-UHFFFAOYSA-N

SMILES:

OC(=O)Cn1cnc2c1nc(N)nc2Cl

Properties

Complexity:

266

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

227.021g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

227.608g/mol

Monoisotopic Mass:

227.021g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

107A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
6-Oxo and 6-thio purine analogs as antimycobacterial agents.	Bioorganic & medicinal chemistry 20130401