HCID1108925

8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione

8-bromo-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione

C13H10BrClN4O2369.6 g/molCAS 305862-71-9

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IDENTITY

结构与身份

标准SMILES: Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(Cl)cc1
InChIKey: DFJNPLNFFLLZCH-UHFFFAOYSA-N
分子式: C13H10BrClN4O2
平均分子量: 369.6 g/mol
单同位素质量: 367.96757

COMPUTED

结构计算性质

已同步

XLogP: 2.6
极性表面积: 67.2 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 21
形式电荷: 0
复杂度: 444

GHS

GHS分类

来源：PubChem

GHS Classification

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified；Reported as not meeting GHS hazard criteria by 2 of 2 companies. For more detailed information, please visit ECHA C&L website.

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.；Reported as not meeting GHS hazard criteria per 2 of 2 reports by companies.；There are 0 notifications provided by 0 of 2 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

HAZARDS

危害信息

来源：PubChem

Hazard Classes and Categories

Not Classified

ALIASES

名称与别名

共 22 条

305862-71-98-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dioneRefChem:547820858-289-18-bromo-7-(4-chlorobenzyl)-3-methyl-1H-purine-2,6(3H,7H)-dione8-bromo-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione8-bromo-7-[(4-chlorophenyl)methyl]-3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dioneOprea1_222055Oprea1_692596MLS001208201CHEMBL2134080SCHEMBL16028621DFJNPLNFFLLZCH-UHFFFAOYSA-N8-Bromo-7-(4-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dioneSBB084945STK059438AKOS000578461SMR000514627AG-690/11451088F0373-0807

REACTIONS