2-[3,4-Dichloro-5-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)phenyl]ethyl methanesulfonate (HCID 86651668)

기본 정보

표준 SMILES: CC(C)(C)[Si](C)(C)OCc1cc(CCOS(C)(=O)=O)cc(Cl)c1Cl
InChIKey: GTAQZCXKKMMPKV-UHFFFAOYSA-N
분자식: C16H26Cl2O4SSi
평균 분자량: 413.4 g/mol
단동위원소 질량: 412.0698124

이름 및 식별자

우선 이름: 2-[3,4-Dichloro-5-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)phenyl]ethyl methanesulfonate
IUPAC: 2-[3-[[tert-butyl(dimethyl)silyl]oxymethyl]-4,5-dichlorophenyl]ethyl methanesulfonate

이름 및 동의어

SCHEMBL1072880GTAQZCXKKMMPKV-UHFFFAOYSA-NDB-4236473-(((tert-butyldimethylsilyl)oxy)methyl)-4,5-dichlorophenethyl methanesulfonate1229245-64-02-[3,4-dichloro-5-({[(1,1-dimethylethyl)(dimethyl)-silyl]oxy}methyl)phenyl]ethyl methanesulfonate2-[3,4-Dichloro-5-({[(1,1-dimethylethyl)(dimethyl)silyl]oxy}methyl)phenyl]ethyl methanesulfonate

데이터베이스 식별자

PubChem CID: 86651668

물성

구조 계산 물성

극성 표면적: 61 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 24
형식 전하: 0
복잡도: 499

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