기본 정보
- CAS
306324-82-3- 표준 SMILES
CC1(C)CC(=O)C(C(C2=C(O)CC(C)(C)CC2=O)c2cc([N+](=O)[O-])ccc2Cl)C(=O)C1- InChIKey
DBPFAJNWKCOZOA-UHFFFAOYSA-N- 분자식
- C23H26ClNO6
- 평균 분자량
- 447.9 g/mol
이름 및 식별자
- 우선 이름
- 2-[(2-Chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- IUPAC
- 2-[(2-chloro-5-nitrophenyl)-(2-hydroxy-4,4-dimethyl-6-oxocyclohexen-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione
- 영어명
- 2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedione
- 분자식
- C23H26ClNO6
- 분자량
- 447.91
이름 및 동의어
Oprea1_654069Oprea1_8495572-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-1,3-cyclohexanedioneSTK026551AKOS000483156AKOS016355907ST021717AB00078138-012-[(2-CHLORO-5-NITROPHENYL)(2-HYDROXY-4,4-DIMETHYL-6-OXO-1-CYCLOHEXENYL)METHYL]-5,5-DIMETHYL-1,3-CYCLOHEXANEDIONE2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxocyclohex-1-en-1-yl)methyl]-5,5-dimethylcyclohexane-1,3-dione2-[(2-chloro-5-nitrophenyl)(6-hydroxy-4,4-dimethyl-2-oxocyclohex-1(6)-enyl)met hyl]-5,5-dimethylcyclohexane-1,3-dione306324-82-3
이름 더 보기
1,3-Cyclohexanedione, 2-[(2-chloro-5-nitrophenyl)(2-hydroxy-4,4-dimethyl-6-oxo-1-cyclohexen-1-yl)methyl]-5,5-dimethyl-
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 117 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 31
- 형식 전하
- 0
- 복잡도
- 819
물리화학적 성질
- 끓는 점
- 600.7 · 600.7±55.0 °C(Predicted)
- 밀도
- 1.313 · 1.313±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 4.28 · 4.28±0.42(Predicted)
화학 및 산업
공급사2 곳
ARONIS[email protected]
OTAVA-BB[email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…