2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-Fluorobenzonitrile

HCID 23089358

기본 정보

표준 SMILES
Cn1c(=O)cc(Cl)n(Cc2cc(F)ccc2C#N)c1=O
InChIKey
DNCGCZRILRRTMK-UHFFFAOYSA-N
분자식
C13H9ClFN3O2
평균 분자량
293.68 g/mol

이름 및 식별자

우선 이름
2-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-Fluorobenzonitrile
IUPAC
2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile

이름 및 동의어

865759-24-62-((6-chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)methyl)-4-FluorobenzonitrileMFCD236953572-[(6-Chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-4-fluorobenzonitrile2-[(6-chloro-3-methyl-2,4-dioxopyrimidin-1-yl)methyl]-4-fluorobenzonitrile2-[(6-chloro-3-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl)methyl]-4-fluorobenzonitrileBenzonitrile, 2-[(6-chloro-3,4-dihydro-3-methyl-2,4-dioxo-1(2H)-pyrimidinyl)methyl]-4-fluoro-2-[[6-Chloro-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]methyl]-4-fluorobenzonitrile4-dioxo-3SCHEMBL3059722-((6-chloro-3-methyl-2DNCGCZRILRRTMK-UHFFFAOYSA-N
이름 더 보기
CS-M2175AKOS025287182SB59591AC-29070CS-13614SY457452DB-329042F789557

데이터베이스 식별자

PubChem CID
23089358
Nikkaji
J3.095.519F

물성

구조 계산 물성

XLogP
1.5
극성 표면적
64.4 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
4
회전 가능 결합 수
2
무거운 원자 수
20

관련 반응

14건

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