기본 정보
- CAS
1073371-96-6- 표준 SMILES
Cc1cnc(F)c(B2OC(C)(C)C(C)(C)O2)c1- InChIKey
VQBAQPBHXGGKBZ-UHFFFAOYSA-N- 분자식
- C12H17BFNO2
- 평균 분자량
- 237.08 g/mol
- 단동위원소 질량
- 237.1336371
이름 및 식별자
- 우선 이름
- 2-Fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- IUPAC
- 2-fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
- 현지명
- 2-FLUORO-5-METHYLPYRIDINE-3-BORONICACIDPINACOL에스테르
- 영어명
- 2-Fluoro-5-methylpyridine-3-boronic acid pinacol ester
- 분자식
- C12H17BFNO2
- 분자량
- 237.08
이름 및 동의어
1073371-96-62-Fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine2-FLUORO-5-METHYLPYRIDINE-3-BORONIC ACID PINACOL ESTERMFCD080630922-Fluoro-5-methylpyridine-3-boronic acid, pinacol ester2-fluoro-5-methyl-3-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridineSCHEMBL446891DTXSID70660271VQBAQPBHXGGKBZ-UHFFFAOYSA-NSBB098730AKOS015949889AB43451
이름 더 보기
2-FLUORO-5-METHYLPYRIDINE-3-BORONICACIDPINACOL에스테르2-fluoro-5-methylpyridin-3-boronic acid pinacol ester2-Fluoro-5-Methylpyridin-3-ylboronic acid pinacol esterPyridine, 2-fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine - [F81289]2-Fluoro-5-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 2-(2-Fluoro-5-methylpyridin-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
AS-47694SY255386CS-0174120EN300-316412F15498F696280Z20448103182-(2-fluoro-5-methyl(3-pyridyl))-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
데이터베이스 식별자
- CAS
1073371-96-6- PubChem CID
- 44717654
- DTXSID
DTXSID70660271
물성
구조 계산 물성
- 극성 표면적
- 31.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 282
물리화학적 성질
- 끓는 점
- 336 · 336.0±42.0 °C(Predicted)
- 밀도
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- -0.15 · -0.15±0.22(Predicted)
안전 및 규제
안전 데이터
- HS 번호
- 2933399990
- hazard_code
- Xi
- 위험 참고 사항
- Irritant
화학 및 산업
공급사58 곳
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