기본 정보
- 표준 SMILES
CCOC(=O)C(C)n1cc(B2OC(C)(C)C(C)(C)O2)cn1- InChIKey
ZOJGQOTZUPOALJ-UHFFFAOYSA-N- 분자식
- C14H23BN2O4
- 평균 분자량
- 294.16 g/mol
- 단동위원소 질량
- 294.1750874
이름 및 식별자
- 우선 이름
- Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate
- IUPAC
- ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate
이름 및 동의어
1220968-24-0Ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoateMFCD27996757ethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]propanoate1H-Pyrazole-1-acetic acid, alpha-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl esterethyl 2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propanoateSCHEMBL1712762ZOJGQOTZUPOALJ-UHFFFAOYSA-NAKOS022190034DS-9278CS-0035955W16776
이름 더 보기
F454486A1-64088Ethyl 2-[4-(4,4,5,5-tetramethyl[1,3,2]dioxaborolan-2-yl)-1H-pyrazol-1-yl]propionateEthyl2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl)propanoate1H-Pyrazole-1-acetic acid, |A-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-, ethyl ester2-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-pyrazol-1-yl]-propionic acid ethyl ester
데이터베이스 식별자
- PubChem CID
- 59492972
물성
구조 계산 물성
- 극성 표면적
- 62.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 386
관련 반응
8건
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