4-Methylthio-3-(trifluoromethyl)phenylboronic acid pinacol ester

HCID 67277301

기본 정보

표준 SMILES
CSc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(F)(F)F
InChIKey
PPIUFEKEWFJLJQ-UHFFFAOYSA-N
분자식
C14H18BF3O2S
평균 분자량
318.2 g/mol

이름 및 식별자

우선 이름
4-Methylthio-3-(trifluoromethyl)phenylboronic acid pinacol ester
IUPAC
4,4,5,5-tetramethyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

이름 및 동의어

779331-59-84-Methylthio-3-(trifluoromethyl)phenylboronic acid pinacol esterMFCD224939864,4,5,5-tetramethyl-2-(4-(methylthio)-3-(trifluoromethyl)phenyl)-1,3,2-dioxaborolane1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[4-(methylthio)-3-(trifluoromethyl)phenyl]-4,4,5,5-Tetramethyl-2-[4-(methylthio)-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane4,4,5,5-tetramethyl-2-[4-methylsulfanyl-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolaneSCHEMBL2102399DB-339898CS-0189827E92375F627907

데이터베이스 식별자

PubChem CID
67277301

물성

구조 계산 물성

극성 표면적
43.8 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
6
회전 가능 결합 수
2
무거운 원자 수
21

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4건

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