HRID 1812483촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
기본 정보
- 표준 SMILES
O.O.O.O.O.O.[Cl][Ru][Cl].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1- InChIKey
WHELTKFSBJNBMQ-UHFFFAOYSA-L- 분자식
- C30H36Cl2N6O6Ru
- 평균 분자량
- 748.6 g/mol
- 단동위원소 질량
- 748.111679
이름 및 식별자
- 우선 이름
- Tris(2,2-bipyridyl)ruthenium(II) chloride hexahydrate
- IUPAC
- dichlororuthenium;tris(2-pyridin-2-ylpyridine);hexahydrate
이름 및 동의어
Tris(2,2-bipyridyl)ruthenium(II) chloride hexahydrateMFCD00149670Tris(2,2 inverted exclamation marka-bipyridine)dichlororuthenium(II) hexahydrateSCHEMBL72119SY010221Tris(2,2-bipyridyl)ruthenium(II)chloridehexahydrateTris(2,2-bipyridine)dichlororuthenium(II) Hexahydrate[Ru(bpy)?][Cl]? inverted exclamation mark currency6H?OTris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate, powderTris(2,2'-bipyridyl)dichlororuthenium(II) hexahydrate, 99.95% trace metals basis
데이터베이스 식별자
- PubChem CID
- 16211607
물성
구조 계산 물성
- 극성 표면적
- 83.3 Ų
- 수소 결합 공여자 수
- 6
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 45
- 형식 전하
- 0
- 복잡도
- 123
관련 반응
110건
HRID 1812484촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812485촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812486촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812487촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812488촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812489촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
HRID 1812490촉매로Dataset from `Ultra-high-throughput mapping of the chemical space of asymmetric catalysis enables accelerated reaction discovery`
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