기본 정보
- CAS
339278-20-5- 표준 SMILES
COC(=O)c1cnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1C- InChIKey
PGRMBRCHKMXOOU-UHFFFAOYSA-N- 분자식
- C13H9F3N4O6S
- 평균 분자량
- 406.3 g/mol
이름 및 식별자
- 우선 이름
- Methyl 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)sulfanyl)-1-methyl-1H-imidazole-5-carboxylate
- IUPAC
- methyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methylimidazole-4-carboxylate
- 영어명
- Methyl 2-([2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl)-1-methyl-1H-imidazole-5-carboxylate
- 분자식
- C13H9F3N4O6S
- 분자량
- 406.29
이름 및 동의어
339278-20-5Methyl 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)sulfanyl)-1-methyl-1H-imidazole-5-carboxylatemethyl 2-[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl-3-methylimidazole-4-carboxylatemethyl 2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-methyl-1H-imidazole-5-carboxylateAKOS0050903634L-011Methyl 2-((2,6-dinitro-4-(trifluoromethyl)phenyl)thio)-1-methyl-1H-imidazole-5-carboxylatemethyl2-{[2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl}-1-methyl-1H-imidazole-5-carboxylateMethyl 2-([2,6-dinitro-4-(trifluoromethyl)phenyl]sulfanyl)-1-methyl-1H-imidazole-5-carboxylate1H-Imidazole-5-carboxylic acid, 2-[[2,6-dinitro-4-(trifluoromethyl)phenyl]thio]-1-methyl-, methyl ester
데이터베이스 식별자
- CAS
339278-20-5
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 161 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 574
물리화학적 성질
- 끓는 점
- 498.4 · 498.4±55.0 °C(Predicted)
- 밀도
- 1.68 · 1.68±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 0.85 · 0.85±0.25(Predicted)
화학 및 산업
공급사5 곳
Carbone Scientific CO., LTD[email protected]
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
3B Scientific Corporation[email protected]
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