9-[(4-Nitrophenyl)methyl]-3H-purin-6-one

Catalog Number

ACM13233868

Product Name

9-[(4-Nitrophenyl)methyl]-3H-purin-6-one

Structure

CAS

13233-86-8

Category

Heterocyclic Organic Compound

Synonyms

9-(p-Nitrobenzyl)-9H-purin-6-ol, 9H-Purin-6-ol, 9-(p-nitrobenzyl)-, MLS000737153, 9-(4-nitrobenzyl)-9h-purin-6-ol, NSC 211694, BRN 1151826, 13233-86-8, 6H-Purin-6-one,9-dihydro-9-[(4-nitrophenyl)methyl]-, NSC87690, AC1L3X2R, AC1Q1ZC1, NCIOpen2_005138, HMS2885D09, AR-1H5045, NSC-87690, NSC211694, ZINC08618545, NSC-211694, NCGC00246891-01, SMR000528392

IUPAC Name

9-[(4-nitrophenyl)methyl]-3H-purin-6-one

Molecular Weight

271.232 g/mol

Molecular Formula

C₁₂H₉N₅O₃

Canonical SMILES

C1=CC(=CC=C1CN2C=NC3=C2NC=NC3=O)[N+](=O)[O-]

InChI Key

AWOOIVCGPKFRJZ-UHFFFAOYSA-N

Boiling Point

592.8ºC at 760 mmHg

Flash Point

312.3ºC

Density

1.61g/cm³

Exact Mass

271.07100

H-Bond Acceptor

4

H-Bond Donor

1

MSDS

COA

Spec Sheet