Name: Name:9H-Purine, 6-chloro-9-methyl-
Brand: Angene
SKU: AG002NC8
Rating: 90 (10 reviews)

9H-Purine, 6-chloro-9-methyl-

CAS No.:

2346-74-9

Catalog Number:

AG002NC8

Molecular Formula:

C6H5ClN4

Molecular Weight:

168.5837

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Product Description

Catalog Number:

AG002NC8

Chemical Name:

9H-Purine, 6-chloro-9-methyl-

CAS Number:

2346-74-9

Molecular Formula:

C6H5ClN4

Molecular Weight:

168.5837

MDL Number:

MFCD00127840

IUPAC Name:

6-chloro-9-methylpurine

InChI:

InChI=1S/C6H5ClN4/c1-11-3-10-4-5(7)8-2-9-6(4)11/h2-3H,1H3

InChI Key:

UEZNSCCMEMUEMO-UHFFFAOYSA-N

SMILES:

Clc1ncnc2c1ncn2C

NSC Number:

4948

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

168.02g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

168.584g/mol

Monoisotopic Mass:

168.02g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

43.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties