기본 정보
- CAS
106105-17-3- 표준 SMILES
CCCCC1(C2CCCC2)Cc2cc(OCC(=O)O)c(Cl)c(Cl)c2C1=O- InChIKey
YAWWQIFONIPBKT-UHFFFAOYSA-N- 분자식
- C20H24Cl2O4
- 평균 분자량
- 399.3 g/mol
- 단동위원소 질량
- 398.1051646
이름 및 식별자
- 우선 이름
- ((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acid, (+)-
- IUPAC
- 2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
- 영어명
- ((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acid
- 분자량
- 0
이름 및 동의어
RefChem:67092((2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acid, (+)-81166-47-4106105-17-3Dioa((2-n-Butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy)acetic acidDioa-aciddihydroindenyl-oxyalkanoic acid[(2-n-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1h-inden-5-yl)oxy]acetic acidDTXSID40909922YAWWQIFONIPBKT-UHFFFAOYSA-N2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-3H-inden-5-yl)oxy]acetic acid
이름 더 보기
[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1h-inden-5-yl)oxy]acetic acidCHEMBL346777GTPL4589SCHEMBL11026309Q27077070(+)[(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid(-) [(2-butyl-6,7-dichloro-2-cyclopentyl-2,3-dihydro-1-oxo-1H-inden-5-yl)oxy]acetic acid2-[(2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl)oxy]acetic acid
데이터베이스 식별자
- CAS
106105-17-3
물성
구조 계산 물성
- XLogP
- 6.5
- 극성 표면적
- 63.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 534
관련 반응
3건
화합물 노트
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