5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolemethanol
기본 정보
- CAS
946426-90-0- 표준 SMILES
OCc1c(-c2ccccc2OC(F)(F)F)noc1C1CC1- InChIKey
YJPRZVHHSVCUIU-UHFFFAOYSA-N- 분자식
- C14H12F3NO3
- 평균 분자량
- 299.24 g/mol
- 단동위원소 질량
- 299.0769279
이름 및 식별자
- 우선 이름
- 5-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolemethanol
- IUPAC
- [5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
- 영어명
- (5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methanol
- 분자식
- C14H12F3NO3
- 분자량
- 299.25
이름 및 동의어
946426-90-05-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-4-isoxazolemethanol5-Cyclopropyl-3-(2-(trifluoromethoxy)phenyl)-4-isoxazolemethanolRefChem:3027575-Cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole-4-methanolMFCD30722906(5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)methanol{5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl}methanol[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazol-4-yl]methanolSCHEMBL1096570SCHEMBL26923025SCHEMBL29556705
이름 더 보기
EOS-608784-Isoxazolemethanol, 5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methanol
DTXSID601172214AC7420AKOS034833078SY235884(5-cyclopropyl-3-(2-trifluormethoxy-phenyl)-isoxazol-4-yl)-methanol(5-cyclopropyl-3-(2-(trifluoromethoxy)phenyl) isoxazol-4-yl)-methanol(5-Cyclopropyl-3-(2-(trifluoromethoxy)phenyl)isoxazol-4-yl)-methanol[5-Cyclopropyl-3-(2-trifluoromethoxy-phenyl)-isoxazol-4-yl]-methanol
데이터베이스 식별자
- CAS
946426-90-0- PubChem CID
- 66906197
- DTXSID
DTXSID601172214
물성
구조 계산 물성
- XLogP
- 2.9
- 극성 표면적
- 55.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 362
물리화학적 성질
- 끓는 점
- 380.1 · 380.1±42.0 °C(Predicted)
- 밀도
- 1.405 · 1.405±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 13.35 · 13.35±0.10(Predicted)
관련 반응
5건
화합물 노트
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