methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate
기본 정보
- CAS
321571-24-8- 표준 SMILES
COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1-c1cn(-c2ccc(F)cc2)nc1C(F)(F)F- InChIKey
OCGUYJQYTKLHEN-UHFFFAOYSA-N- 분자식
- C21H11Cl2F4N3O3
- 평균 분자량
- 500.2 g/mol
- 단동위원소 질량
- 499.0113593
이름 및 식별자
- 우선 이름
- methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate
- IUPAC
- methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylate
이름 및 동의어
321571-24-8methyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylatemethyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxylatemethyl 3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-4-isoxazolecarboxylateDTXSID501107933AKOS0050983207L-001Methyl 3-(2,6-dichlorophenyl)-5-(1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl)isoxazole-4-carboxylatemethyl3-(2,6-dichlorophenyl)-5-[1-(4-fluorophenyl)-3-(trifluoromethyl)-1H-pyrazol-4-yl]-1,2-oxazole-4-carboxylate
데이터베이스 식별자
- CAS
321571-24-8- PubChem CID
- 3738891
- DTXSID
DTXSID501107933
물성
구조 계산 물성
- XLogP
- 5.8
- 극성 표면적
- 70.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 688
관련 반응
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