기본 정보
- CAS
72797-06-9- 표준 SMILES
CC1=NN(c2ccccc2)C(=O)C1=NN=C1C=C(CC(C)(C)C)C=C(N([O-])[O-])C1=O.Cc1nn(-c2ccccc2)c([O-])c1N=Nc1cc(CC(C)(C)C)cc([N+](=O)[O-])c1[O-].[Cr+3].[H+]- InChIKey
OARYXTPEYFGYTR-UHFFFAOYSA-M- 분자식
- C42H43CrN10O8
- 평균 분자량
- 867.8 g/mol
- 단동위원소 질량
- 867.267038
이름 및 식별자
- 우선 이름
- Chromate(1-), bis[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl]diazenyl-kappaN1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)
- IUPAC
- chromium(3+);4-[[3-(2,2-dimethylpropyl)-5-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]-5-methyl-2-phenylpyrazol-3-one;4-[[5-(2,2-dimethylpropyl)-3-nitro-2-oxidophenyl]diazenyl]-3-methyl-1-phenylpyrazol-5-olate;hydron
이름 및 동의어
Chromate(1-), bis(4-(2-(5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)diazenyl-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogen (1:1)DTXSID201340473Chromate(1-), bis[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl]diazenyl-kappaN1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3]-, hydrogen (1:1)Chromate(1-), bis[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-.kappa.O)-3-nitrophenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen (1:1)RefChem:576399DTXCID10176972572797-06-9EINECS 276-845-6Chromate(1-), bis(4-((5-(2,2-dimethylpropyl)-2-(hydroxy-kappaO)-3-nitrophenyl)azo-kappaN1)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-kappaO3)-, hydrogenChromate(1-), bis(2,4-dihydro-4-((2-hydroxy-5-(2,2-dimethylpropyl)-3-nitrophenyl)azo)-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))-, hydrogenHydrogen bis(4-((2-hydroxy-5-neopentyl-3-nitrophenyl)azo)-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-))chromate(1-)
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 258 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 15
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 61
- 형식 전하
- 0
- 복잡도
- 613
화학 및 산업
용도 및 제조
General Manufacturing InformationChromate(1-), bis[4-[2-[5-(2,2-dimethylpropyl)-2-(hydroxy-.kappa.O)-3-nitrophenyl]diazenyl-.kappa.N1]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-onato(2-)-.kappa.O3]-, hydrogen (1:1): INACTIVE
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