1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole

HCID 14706449

기본 정보

CAS
124627-86-7
표준 SMILES
CC1OC1(Cn1cncn1)c1ccc(F)cc1F
InChIKey
QANJLSHZDUOBBP-UHFFFAOYSA-N
분자식
C12H11F2N3O
평균 분자량
251.23 g/mol
단동위원소 질량
251.08701831

이름 및 식별자

우선 이름
1-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole
IUPAC
1-[[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
영어명
1-[(2R,3S)-2-(2,4-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole
분자식
C12H11F2N3O
분자량
251.23

이름 및 동의어

124627-86-7DTXSID6011490431-((2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl)methyl)-1H-1,2,4-triazole1-[[2-(2,4-Difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1H-1,2,4-triazoleRefChem:1053623DTXCID0015806051-((2-(2,4-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole1-{[2-(2,4-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole(2R,3S)-2-(2,4-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxiraneC12H11F2N3OSCHEMBL3264782QANJLSHZDUOBBP-UHFFFAOYSA-N
이름 더 보기
1H-1,2,4-Triazole, 1-[[2-(2,4-difluorophenyl)-3-methyl-2-oxiranyl]methyl]-1-[(2R,3S)-2-(2,4-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole
1-[[2-(2,4-difluorophenyl)-3-methyl-oxiran-2-yl]methyl]-1,2,4-triazole2,4-Difluorophenyl-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane(2RS,3RS)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyl oxirane(2RS,3RS)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-ylmethyl)oxirane(2RS,3SR)-2-(2,4-difluorophenyl)-3-methyl-2-(1H-1,2,4-triazol-1-yl)methyloxirane

데이터베이스 식별자

CAS
124627-86-7
PubChem CID
14706449
DTXSID
DTXSID601149043
Nikkaji
J3.331.851K

물성

구조 계산 물성

XLogP
1.5
극성 표면적
43.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
5
회전 가능 결합 수
3
무거운 원자 수
18

물리화학적 성질

녹는점
89 · 89-91°C
끓는 점
371.6 · 371.6±52.0 °C(Predicted)
밀도
1.41 · 1.41±0.1 g/cm3(Predicted)
저장 조건
Amber Vial, Refrigerator
용해도
클로로포름(소량으로 용해), 메탄올(소량으로 용해)
물리적 상태
고체

화학 및 산업

공급사2 곳

普善实业(陕西)有限公司029-81310890 18165209495 · [email protected]
郑州凡尔赛特化工有限公司0371-67991738 13783628208 · [email protected]

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