4,4-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
기본 정보
- CAS
1396777-60-8- 표준 SMILES
CC1(C)CNC(=O)c2ccc(B3OC(C)(C)C(C)(C)O3)cc21- InChIKey
VPTCMQYFTOZYSE-UHFFFAOYSA-N- 분자식
- C17H24BNO3
- 평균 분자량
- 301.2 g/mol
- 단동위원소 질량
- 301.1849238
이름 및 식별자
- 우선 이름
- 4,4-Dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
- IUPAC
- 4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one
이름 및 동의어
1396777-60-84,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydroisoquinolin-1(2H)-one1(2H)-Isoquinolinone, 3,4-dihydro-4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-SCHEMBL12078315SCHEMBL30926385VPTCMQYFTOZYSE-UHFFFAOYSA-NDTXSID401116983MFCD34663208F896244,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2,3,4-tetrahydroisoquinolin-1-one4,4-dimethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroisoquinolin-1-one - [D82731]
데이터베이스 식별자
- CAS
1396777-60-8- PubChem CID
- 70655261
- DTXSID
DTXSID401116983
물성
구조 계산 물성
- 극성 표면적
- 47.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 459
관련 반응
2건
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