기본 정보
- CAS
514816-44-5- 표준 SMILES
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)C1c1ccc(OC)c(COc2c(F)c(F)c(F)c(F)c2F)c1- InChIKey
QCGPJDJUBULEND-UHFFFAOYSA-N- 분자식
- C29H28F5NO5
- 평균 분자량
- 565.5 g/mol
- 단동위원소 질량
- 565.1887638
이름 및 식별자
- 우선 이름
- Ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
- IUPAC
- ethyl 4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
- 영어명
- ethyl 4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
- 분자식
- C29H28F5NO5
- 분자량
- 565.53
이름 및 동의어
ethyl 4-{4-methoxy-3-[(pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateAK-968/41925536STK316000AKOS003794000ethyl 4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate514816-44-5ethyl 4-(4-methoxy-3-((perfluorophenoxy)methyl)phenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylateethyl 4-{4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl}-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate3-Quinolinecarboxylic acid, 1,4,5,6,7,8-hexahydro-4-[4-methoxy-3-[(2,3,4,5,6-pentafluorophenoxy)methyl]phenyl]-2,7,7-trimethyl-5-oxo-, ethyl ester
데이터베이스 식별자
- CAS
514816-44-5- PubChem CID
- 5084545
물성
구조 계산 물성
- XLogP
- 5.6
- 극성 표면적
- 73.9 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 40
- 형식 전하
- 0
- 복잡도
- 1,030
물리화학적 성질
- 끓는 점
- 610.7 · 610.7±55.0 °C(Predicted)
- 밀도
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 1.35 · 1.35±0.70(Predicted)
화학 및 산업
공급사1 곳
SPECS[email protected]
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