기본 정보
- CAS
241479-73-2- 표준 SMILES
C[C@@H]1O[C@@]1(Cn1cncn1)c1cc(F)ccc1F- InChIKey
QYOWWJNQQPRWCO-QPUJVOFHSA-N- 분자식
- C12H11F2N3O
- 평균 분자량
- 251.23 g/mol
이름 및 식별자
- 우선 이름
- 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazole
- IUPAC
- 1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole
- 영어명
- 1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole
- 분자식
- C12H11F2N3O
- 분자량
- 251.23
이름 및 동의어
241479-73-21-(((2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazoleEfinaconazole Impurity DMFCD30343823(2R,3S)-2-(2,5-Difluorophenyl)-3-methyl-2-[(1H-1,2,4-triazol-1-yl)-methyl]-oxirane1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl]-1,2,4-triazole1-[[(2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiranyl]methyl]-1H-1,2,4-triazole1-{[(2R,3S)-2-(2,5-difluorophenyl)-3-methyloxiran-2-yl]methyl}-1H-1,2,4-triazole1-[[(2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiran-2-yl]methyl]-1H-1,2,4-triazoleIsavuconazole Impurity 195SCHEMBL1828222SCHEMBL29565751
이름 더 보기
1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methy...1-[2-(2,5-Difluoro-phenyl)-3-methyl-oxiranylmethyl]-1H-[1,2,4]triazole1H-1,2,4-Triazole,1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiranyl]Methyl](2R,3S)-2-(2,5-DIFUOROPHENYL)-3-METHYL-((1H-1,2,4-TRIAZOL-1- YL)METHYL)OXIRANE1-(((2R,3S)-2-(2,5-Difluorophenyl)-3-methyloxiran-2-yl)methyl)-1H-1,2,4-triazol(2R,3S)-2-(2,5-DIFUOROPHENYL)-3-METHYL-2-((1H-1,2,4-TRIAZOL-1- YL)METHYL)OXIRANE
QYOWWJNQQPRWCO-QPUJVOFHSA-N(2r,3s)-2-(2,5-difluorophenyl)-3-methyl-((1h-1,2,4-triazol-1-yl)methyl)oxirane1-[[(2R,3S)-2-(2,5-difluorophenyl)-3-methyl-oxiran-2-yl]methyl]-1,2,4-triazoleAC-37399BS-51355SY284611F870059A1-03608
데이터베이스 식별자
- CAS
241479-73-2- Nikkaji
- J2.402.099A
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
- 형식 전하
- 0
- 복잡도
- 320
물리화학적 성질
- 끓는 점
- 386.5 · 386.5±52.0 °C(Predicted)
- 밀도
- 1.41 · 1.41±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 2.75 · 2.75±0.10(Predicted)
- InChI
- InChI=1S/C12H11F2N3O/c1-8-12(18-8,5-17-7-15-6-16-17)10-4-9(13)2-3-11(10)14/h2-4,6-8H,5H2,1H3/t8-,12+/m0/s1
- InChIKey
- QYOWWJNQQPRWCO-QPUJVOFHSA-N
- SMILES
- N1(C[C@]2(C3=CC(F)=CC=C3F)[C@H](C)O2)C=NC=N1
화학적 성질
1-(((2R,3S)-2-(2,5-difluorophenyl)-3-Methyloxiran-2-yl)Methyl)-1H-1,2,4-triazole, also known as (2R,3S)-2-(2,5-Difluorophenyl)-3-methyl-[(1H-1,2,4-triazol-1-yl)methyl]oxirane, is a off white or white powder.
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
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