기본 정보
- CAS
339098-60-1- 표준 SMILES
FC(F)(F)c1cnc(NCC2CC(c3ccno3)=NO2)c(Cl)c1- InChIKey
IAUCCLPDKJOSGX-UHFFFAOYSA-N- 분자식
- C13H10ClF3N4O2
- 평균 분자량
- 346.69 g/mol
이름 및 식별자
- 우선 이름
- 3-chloro-N-{[3-(5-isoxazolyl)-4,5-dihydro-5-isoxazolyl]methyl}-5-(trifluoromethyl)-2-pyridinamine
- IUPAC
- 3-chloro-N-[[3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
- 영어명
- 3-Chloro-N-([3-(5-isoxazolyl)-4,5-dihydro-5-isoxazolyl]methyl)-5-(trifluoromethyl)-2-pyridinamine
- 분자식
- C13H10ClF3N4O2
- 분자량
- 346.69
이름 및 동의어
339098-60-13-chloro-N-{[3-(5-isoxazolyl)-4,5-dihydro-5-isoxazolyl]methyl}-5-(trifluoromethyl)-2-pyridinamine3-chloro-N-[[3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine3-chloro-N-{[3-(1,2-oxazol-5-yl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}-5-(trifluoromethyl)pyridin-2-amineAKOS0051028478H-9093-Chloro-N-((4,5-dihydro-[3,5'-biisoxazol]-5-yl)methyl)-5-(trifluoromethyl)pyridin-2-amine[3,5'-Biisoxazole]-5-methanamine, N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4,5-dihydro-3-Chloro-N-([3-(5-isoxazolyl)-4,5-dihydro-5-isoxazolyl]methyl)-5-(trifluoromethyl)-2-pyridinamineN-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-{[3-(5-isoxazolyl)-4,5-dihydro-5-isoxazolyl]methyl}amineN-[3-CHLORO-5-(TRIFLUOROMETHYL)-2-PYRIDINYL]-N-([3-(5-ISOXAZOLYL)-4,5-DIHYDRO-5-ISOXAZOLYL]METHYL)AMINE
데이터베이스 식별자
- CAS
339098-60-1
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 72.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 451
물리화학적 성질
- 끓는 점
- 446.5 · 446.5±55.0 °C(Predicted)
- 밀도
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.96 · 1.96±0.10(Predicted)
화학 및 산업
공급사3 곳
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
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