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기본 정보
- CAS
305862-71-9- 표준 SMILES
Cn1c(=O)[nH]c(=O)c2c1nc(Br)n2Cc1ccc(Cl)cc1- InChIKey
DFJNPLNFFLLZCH-UHFFFAOYSA-N- 분자식
- C13H10BrClN4O2
- 평균 분자량
- 369.6 g/mol
- 단동위원소 질량
- 367.96757
이름 및 식별자
- 우선 이름
- 8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- IUPAC
- 8-bromo-7-[(4-chlorophenyl)methyl]-3-methylpurine-2,6-dione
- 영어명
- 8-bromo-7-(4-chlorobenzyl)-3-methyl-3,7-dihydro-1H-purine-2,6-dione
- 분자식
- C13H10BrClN4O2
- 분자량
- 369.6
이름 및 동의어
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_692596MLS001208201CHEMBL2134080SCHEMBL16028621
이름 더 보기
1H-Purine-2,6-dione, 8-bromo-7-[(4-chlorophenyl)methyl]-3,7-dihydro-3-methyl-
DFJNPLNFFLLZCH-UHFFFAOYSA-N8-Bromo-7-(4-chloro-benzyl)-3-methyl-3,7-dihydro-purine-2,6-dioneSBB084945STK059438AKOS000578461SMR000514627AG-690/11451088F0373-0807
데이터베이스 식별자
- CAS
305862-71-9- PubChem CID
- 1108925
- ChEMBL
CHEMBL2134080- EC Number
- 858-289-1
물성
구조 계산 물성보충 중
- XLogP
- 2.6
- 극성 표면적
- 67.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 444
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
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.
유해성 정보
Hazard Classes and CategoriesNot Classified
화학 및 산업
공급사9 곳
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