Basic information
- CAS
53599-88-5- Standard SMILES
O=[N+]([O-])c1cccc2cncc(Cl)c12- InChIKey
INGNEZHNSSPYSA-UHFFFAOYSA-N- Molecular formula
- C9H5ClN2O2
- Average molar mass
- 208.6 g/mol
- Monoisotopic mass
- 208.00395508
Names & identifiers
- Preferred name
- 4-Chloro-5-nitroisoquinoline
- IUPAC
- 4-chloro-5-nitroisoquinoline
- English name
- 4-Chloro-5-nitroisoquinoline
- Molecular formula
- C9H5ClN2O2
- Molecular weight
- 208.6012
Names & synonyms
4-Chloro-5-nitroisoquinoline53599-88-5DTXSID90621102RefChem:291787DTXCID50571856SCHEMBL2000338INGNEZHNSSPYSA-UHFFFAOYSA-NMFCD18448529SY364205G81338
Database identifiers
- CAS
53599-88-5- PubChem CID
- 21979967
- DTXSID
DTXSID90621102
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 231
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers6 total
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
西安橙远医药科技有限公司17792872120 · [email protected]
Related reactions
4 records
Compound notes
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