기본 정보
- CAS
81886-66-0- 표준 SMILES
Clc1ccc(C2(Cn3cncn3)CO2)c(Cl)c1- InChIKey
XSWWLUJJHSNVIB-UHFFFAOYSA-N- 분자식
- C11H9Cl2N3O
- 평균 분자량
- 270.11 g/mol
- 단동위원소 질량
- 269.01226727
이름 및 식별자
- 우선 이름
- 1H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)oxiranyl]methyl]-
- IUPAC
- 1-[[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
이름 및 동의어
1-{[2-(2,4-dichlorophenyl)oxiran-2-yl]methyl}-1H-1,2,4-triazole1-((2-(2,4-dichlorophenyl)oxiran-2-yl)methyl)-1H-1,2,4-triazole81886-66-01H-1,2,4-Triazole, 1-[[2-(2,4-dichlorophenyl)oxiranyl]methyl]-SCHEMBL74247CHEMBL2063501DTXSID70439702TQR1067XSWWLUJJHSNVIB-UHFFFAOYSA-N2-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)oxirane2,4-Dichlorophenyl-2-(1H-1,2,4-triazol-1-ylmethyl)-oxirane2-(1H-1,2,4-triazol-1-ylmethyl)-2-(2,4-dichlorophenyl)oxirane
이름 더 보기
2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl-methyl)-oxirane2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-yl-methyl)oxirane2-(2,4-dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl) oxirane2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)-oxirane2-(2,4-Dichlorophenyl)-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane
데이터베이스 식별자
- CAS
81886-66-0- PubChem CID
- 10423229
- DTXSID
DTXSID70439702- ChEMBL
CHEMBL2063501- Nikkaji
- J2.350.642D
물성
구조 계산 물성
- XLogP
- 2.4
- 극성 표면적
- 43.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 294
관련 반응
27건
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