Basic information
- CAS
851545-78-3- Standard SMILES
O=[N+]([O-])c1ccc(OCc2nccs2)c(Cl)c1- InChIKey
JTWZCMTVRFLATM-UHFFFAOYSA-N- Molecular formula
- C10H7ClN2O3S
- Average molar mass
- 270.69 g/mol
- Monoisotopic mass
- 269.98659076
Names & identifiers
- Preferred name
- 2-((2-Chloro-4-nitrophenoxy)methyl)thiazole
- IUPAC
- 2-[(2-chloro-4-nitrophenoxy)methyl]-1,3-thiazole
- English name
- 2-((2-chloro-4-nitrophenoxy)methyl)thiazole
- Molecular formula
- C10H7ClN2O3S
- Molecular weight
- 270.69
Names & synonyms
2-((2-Chloro-4-nitrophenoxy)methyl)thiazole851545-78-32-[(2-Chloro-4-nitrophenoxy)methyl]-1,3-thiazole2-[(2-CHLORO-4-NITROPHENOXY)METHYL]THIAZOLESCHEMBL2991924DTXSID50694756WLZ3674JTWZCMTVRFLATM-UHFFFAOYSA-N2-(2-chloro-4-nitrophenoxymethyl)-thiazoleDB-0762632-(2-chloro-4-nitro-phenoxymethyl)-thiazoleThiazole, 2-[(2-chloro-4-nitrophenoxy)Methyl]-
Database identifiers
- CAS
851545-78-3- PubChem CID
- 53401006
- DTXSID
DTXSID50694756
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 277
Physicochemical properties
- Boiling point
- 428.9 · 428.9±35.0 °C(Predicted)
- Density
- 1.498 · 1.498
- pka
- 1.9 · 1.90±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers8 total
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
AN PharmaTech Co Ltd86(21)68097365 · [email protected]
兰州安杰利生物化学科技有限公司0931-8235634 13321316780
南京美韬医药科技有限公司[email protected] · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
Related reactions
8 records
Compound notes
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