기본 정보
- CAS
866134-64-7- 표준 SMILES
CCOC(=O)C1CN(S(=O)(=O)c2ccc(C(C)(C)C)cc2)c2cc(Cl)ccc2O1- InChIKey
JCZGZDCKIQWFBH-UHFFFAOYSA-N- 분자식
- C21H24ClNO5S
- 평균 분자량
- 437.9 g/mol
이름 및 식별자
- 우선 이름
- ethyl 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
- IUPAC
- ethyl 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylate
- 영어명
- Ethyl 4-([4-(tert-butyl)phenyl]sulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
- 분자식
- C21H24ClNO5S
- 분자량
- 437.94
이름 및 동의어
866134-64-7ethyl 4-{[4-(tert-butyl)phenyl]sulfonyl}-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateethyl 4-(4-tert-butylphenyl)sulfonyl-6-chloro-2,3-dihydro-1,4-benzoxazine-2-carboxylateethyl 4-(4-tert-butylbenzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateAKOS0050999847X-0267ethyl4-(4-tert-butylbenzenesulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylateEthyl 4-((4-(tert-butyl)phenyl)sulfonyl)-6-chloro-3,4-dihydro-2H-benzo[b][1,4]oxazine-2-carboxylateEthyl 4-([4-(tert-butyl)phenyl]sulfonyl)-6-chloro-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate2H-1,4-Benzoxazine-2-carboxylic acid, 6-chloro-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-3,4-dihydro-, ethyl ester
데이터베이스 식별자
- CAS
866134-64-7
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 81.3 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 678
물리화학적 성질
- 끓는 점
- 549.5 · 549.5±60.0 °C(Predicted)
- 밀도
- 1.294 · 1.294±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- -4.65 · -4.65±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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