Basic information
- CAS
103912-63-6- Standard SMILES
Cc1noc(C(=O)O)c1Cl- InChIKey
OKOYWJVGSDOHLQ-UHFFFAOYSA-N- Molecular formula
- C5H4ClNO3
- Average molar mass
- 161.54 g/mol
- Monoisotopic mass
- 160.9879707
Names & identifiers
- Preferred name
- 4-Chloro-3-methylisoxazole-5-carboxylic acid
- IUPAC
- 4-chloro-3-methyl-1,2-oxazole-5-carboxylic acid
- English name
- 5-Isoxazolecarboxylicacid,4-chloro-3-methyl-(9CI)
- Molecular formula
- C5H4ClNO3
- Molecular weight
- 161.54
Names & synonyms
103912-63-64-Chloro-3-methylisoxazole-5-carboxylic acidDTXSID90423648RefChem:291682DTXCID10374486OKOYWJVGSDOHLQ-UHFFFAOYSA-N4-chloro-3-methyl-1,2-oxazole-5-carboxylic acid5-Isoxazolecarboxylicacid, 4-chloro-3-methyl-5-Isoxazolecarboxylicacid,4-chloro-3-methyl-(9CI)SCHEMBL6190802DB-3580533-Methyl-4-chloro-5-isoxazolecarboxylic acid
Show more names
5-Isoxazolecarboxylicacid,4-chloro-3-Methyl-
4-Chloro-3-methyl-5-isoxazolecarboxylic acid
Database identifiers
- CAS
103912-63-6- PubChem CID
- 6422326
- DTXSID
DTXSID90423648
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 152
Physicochemical properties
- Melting point
- 158 · 158-159 °C
- Boiling point
- 326.5 · 326.5±37.0 °C(Predicted)
- Density
- 1.52 · 1.520±0.06 g/cm3(Predicted)
- pka
- 0.93 · 0.93±0.28(Predicted)
Chemistry & industry
Suppliers5 total
上海欧堃化学有限公司(QQ 39130253)021-68712331 39130253 · [email protected]
上海摩纹医药科技有限公司13681854265 · [email protected]
德州朗维医药科技有限公司13761310616 · [email protected]
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
2 records
Compound notes
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