1H-Indole-3-acetic acid, 5-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, methyl ester
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기본 정보
- CAS
55712-65-7- 표준 SMILES
COC(=O)Cc1cn(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c2ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)cc12- InChIKey
ISMCVTZZOPFBII-UHFFFAOYSA-N- 분자식
- C19H9F14NO5
- 평균 분자량
- 597.3 g/mol
- 단동위원소 질량
- 597.0257167
이름 및 식별자
- 우선 이름
- 1H-Indole-3-acetic acid, 5-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, methyl ester
- IUPAC
- [1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] 2,2,3,3,4,4,4-heptafluorobutanoate
- 영어명
- 5-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1H-indole-3-acetic acid methyl ester
- 분자식
- C19H9F14NO5
- 분자량
- 597.26
이름 및 동의어
55712-65-71H-Indole-3-acetic acid, 5-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, methyl esterISMCVTZZOPFBII-UHFFFAOYSA-NDTXSID401045372[1-(Perfluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] perfluorobutanoate1-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)-1H-indol-5-yl 2,2,3,3,4,4,4-heptafluorobutanoate #5-(2,2,3,3,4,4,4-Heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-1H-indole-3-acetic acid methyl ester1H-Indole-3-acetic acid, 5-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-, methyl ester
데이터베이스 식별자
- CAS
55712-65-7- PubChem CID
- 635881
- DTXSID
DTXSID401045372- Nikkaji
- J221.756B
물성
구조 계산 물성보충 중
- XLogP
- 6.3
- 극성 표면적
- 74.6 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 19
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 39
- 형식 전하
- 0
- 복잡도
- 963
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