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기본 정보
- CAS
84478-42-2- 표준 SMILES
C#CCOc1cc(N2C(=O)C3=C(CCCC3)C2=O)c(F)cc1Cl- InChIKey
QAWLSTWQUFLACC-UHFFFAOYSA-N- 분자식
- C17H13ClFNO3
- 평균 분자량
- 333.7 g/mol
- 단동위원소 질량
- 333.05679918
개요
S-23142 is a member of the class of phthalimides that is phthalimide in which the nitrogen has been substituted by a 4-chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl group. It is used as a herbicide. It has a role as a herbicide and an EC 1.3.3.4 (protoporphyrinogen oxidase) inhibitor. It is an aromatic ether, a member of maleimides, a terminal acetylenic compound, a member of phthalimides, a member of monochlorobenzenes and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- 1H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-
- IUPAC
- 2-(4-chloro-2-fluoro-5-prop-2-ynoxyphenyl)-4,5,6,7-tetrahydroisoindole-1,3-dione
이름 및 동의어
84478-42-21H-Isoindole-1,3(2H)-dione, 2-(4-chloro-2-fluoro-5-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-2-(4-Chloro-2-fluoro-5-(2-propynyloxy)phenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dioneDTXSID60233458RefChem:239320DTXCID60155949n-(4-chloro-2-fluoro-5-propargyloxyphenyl)-3,4,5,6-tetrahydrophthalimide2-(4-Chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl)-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dione2-[4-chloro-2-fluoro-5-(prop-2-yn-1-yloxy)phenyl]-4,5,6,7-tetrahydro-1H-isoindole-1,3(2H)-dioneS-23142SCHEMBL314005CHEMBL2269734
이름 더 보기
SCHEMBL29448833CHEBI:231817QAWLSTWQUFLACC-UHFFFAOYSA-Ns23142S 23142N-[4-chloro-2-fluoro-5-propargyloxy]phenyl-3,4,5,6-tetrahydrophthalimideN-[4-chloro-2-fluoro-5-propargyloxyphenyl]-3 ,4,5,6-tetrahydrophthalimideN-[4-chloro-2-fluoro-5-(2-propynyloxy)phenyl]-3,4,5,6-tetrahydrophthalimide
데이터베이스 식별자
- CAS
84478-42-2
물성
구조 계산 물성보충 중
- XLogP
- 3.2
- 극성 표면적
- 46.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 580
관련 반응
8건
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