Basic information
- CAS
1125406-99-6- Standard SMILES
N#Cc1cccc(-c2cn3nc(Cl)ccc3n2)c1- InChIKey
YBEQOLPTZPSMNQ-UHFFFAOYSA-N- Molecular formula
- C13H7ClN4
- Average molar mass
- 254.67 g/mol
- Monoisotopic mass
- 254.0359239
Names & identifiers
- Preferred name
- 3-(6-Chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
- IUPAC
- 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
- English name
- 3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile
- Molecular formula
- C13H7ClN4
- Molecular weight
- 254.67
Names & synonyms
3-(6-chloroimidazo[1,2-b]pyridazin-2-yl)benzonitrile1125406-99-63-[6-Chloroimidazo[1,2-b]pyridazin-2-yl]benzonitrileSCHEMBL44397DTXSID10676477YBEQOLPTZPSMNQ-UHFFFAOYSA-NAKOS015850570DB-000874Benzonitrile, 3-(6-chloroiMidazo[1,2-b]pyridazin-2-yl)-
Database identifiers
- CAS
1125406-99-6- PubChem CID
- 46835564
- DTXSID
DTXSID10676477
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers7 total
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
Shanghai Hanhong Scientific Co., Ltd.+undefined17612118332 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
湖北扬信医药科技有限公司15347293736 · [email protected]
成都瑞欧克科技有限公司028-64353063 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
7 records
Compound notes
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