2-(5-Methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethanol

HCID 10588172

기본 정보

CAS
141819-91-2
표준 SMILES
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1CCO
InChIKey
BQYBIZJTLUWSLE-UHFFFAOYSA-N
분자식
C13H12F3NO2
평균 분자량
271.23 g/mol
단동위원소 질량
271.08201328

이름 및 식별자

우선 이름
2-(5-Methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethanol
IUPAC
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanol
영어명
2-(5-METHYL-2-(4-(TRIFLUOROMETHYL)PHENYL)OXAZOL-4-YL)ETHANOL
분자식
C13H12F3NO2
분자량
271.24

이름 및 동의어

141819-91-22-(5-Methyl-2-(4-(trifluoromethyl)phenyl)oxazol-4-yl)ethanol2-(5-Methyl-2-(4-(trifluoromethyl)-phenyl)oxazol-4-yl)ethanol2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]ethanol2-[5-Methyl-2-(4-trifluoromethyl-phenyl)-oxazol-4-yl]-ethanolSCHEMBL4890697DTXSID504421982-{5-Methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl}ethan-1-olMB14535DB-0634052-[2-(4-trifluoromethylphenyl)-5-methyl-1,3-oxazol-4-yl]ethanol5-methyl-2-[4-(trifluoromethyl)phenyl]-4-Oxazoleethanol
이름 더 보기
4-Oxazoleethanol, 5-methyl-2-[4-(trifluoromethyl)phenyl]-

데이터베이스 식별자

CAS
141819-91-2
PubChem CID
10588172
DTXSID
DTXSID50442198
Nikkaji
J2.333.477A

물성

구조 계산 물성

XLogP
2.9
극성 표면적
46.3 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
6
회전 가능 결합 수
3
무거운 원자 수
19

물리화학적 성질

끓는 점
362.7 · 362.7±52.0 °C(Predicted)
밀도
1.286 · 1.286±0.06 g/cm3(Predicted)
산도 계수 (pKa)
14.32 · 14.32±0.10(Predicted)

화학 및 산업

공급사3 곳

嘉兴诺华化工有限公司18957373295
上海珂臻医药科技有限公司021-021-021-31663258 13795219287 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]

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