기본 정보
- CAS
866134-62-5- 표준 SMILES
CCOC(=O)C1CN(S(=O)(=O)c2cccc(C(F)(F)F)c2)c2cc(Cl)ccc2O1- InChIKey
BPIGSEKFWFYUKC-UHFFFAOYSA-N- 분자식
- C18H15ClF3NO5S
- 평균 분자량
- 449.8 g/mol
이름 및 식별자
- 우선 이름
- ethyl 6-chloro-4-{[3-(trifluoromethyl)phenyl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
- IUPAC
- ethyl 6-chloro-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylate
- 영어명
- Ethyl 6-chloro-4-([3-(trifluoromethyl)phenyl]sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
- 분자식
- C18H15ClF3NO5S
- 분자량
- 449.83
이름 및 동의어
866134-62-5ethyl 6-chloro-4-{[3-(trifluoromethyl)phenyl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateethyl 6-chloro-4-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxylateethyl 6-chloro-4-[3-(trifluoromethyl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateAKOS0050999557X-0266Ethyl 6-chloro-4-((3-(trifluoromethyl)phenyl)sulfonyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylateethyl6-chloro-4-[3-(trifluoromethyl)benzenesulfonyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateEthyl 6-chloro-4-([3-(trifluoromethyl)phenyl]sulfonyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate2H-1,4-Benzoxazine-2-carboxylic acid, 6-chloro-3,4-dihydro-4-[[3-(trifluoromethyl)phenyl]sulfonyl]-, ethyl ester
데이터베이스 식별자
- CAS
866134-62-5
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 699
물리화학적 성질
- 끓는 점
- 531 · 531.0±60.0 °C(Predicted)
- 밀도
- 1.473 · 1.473±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -5.47 · -5.47±0.40(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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