기본 정보
- CAS
307544-07-6- 표준 SMILES
Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3c(CN4CCOCC4)c(O)ccc3c2=O)c1- InChIKey
JRRMVPNICZJVTC-UHFFFAOYSA-N- 분자식
- C23H22F3NO5
- 평균 분자량
- 449.4 g/mol
이름 및 식별자
- 우선 이름
- 3-(3,5-Dimethylphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one
- IUPAC
- 3-(3,5-dimethylphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-one
- 영어명
- 3-(3,5-dimethylphenoxy)-7-hydroxy-8-(4-morpholinylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one
- 분자식
- C23H22F3NO5
- 분자량
- 449.42
이름 및 동의어
3-(3,5-dimethylphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)chromen-4-oneChemDiv1_028750AF-399/15034075HMS668K18AKOS001645848CCG-1109833-(3,5-dimethylphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-oneST50183452UNM000003547101SR-01000485124SR-01000485124-13-(3,5-dimethylphenoxy)-7-hydroxy-8-(4-morpholinylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one
이름 더 보기
4H-1-Benzopyran-4-one, 3-(3,5-dimethylphenoxy)-7-hydroxy-8-(4-morpholinylmethyl)-2-(trifluoromethyl)-
3-(3,5-dimethylphenoxy)-7-hydroxy-8-(morpholin-4-ylmethyl)-2-(trifluoromethyl) chromen-4-one3-(3,5-DIMETHYLPHENOXY)-7-HYDROXY-8-[(MORPHOLIN-4-YL)METHYL]-2-(TRIFLUOROMETHYL)-4H-CHROMEN-4-ONE307544-07-6
데이터베이스 식별자
- CAS
307544-07-6
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 68.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 711
물리화학적 성질
- 끓는 점
- 529.4 · 529.4±50.0 °C(Predicted)
- 밀도
- 1.386 · 1.386±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 5.63 · 5.63±0.40(Predicted)
화학 및 산업
공급사2 곳
OTAVA-BB[email protected]
SPECS[email protected]
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