Basic information
- CAS
1194374-11-2- Standard SMILES
CCOC(=O)Cn1ccnc(Cl)c1=O- InChIKey
XXDGQFANXYGUKC-UHFFFAOYSA-N- Molecular formula
- C8H9ClN2O3
- Average molar mass
- 216.62 g/mol
- Monoisotopic mass
- 216.0301698
Names & identifiers
- Preferred name
- Ethyl 2-(3-chloro-2-oxopyrazin-1(2H)-yl)acetate
- IUPAC
- ethyl 2-(3-chloro-2-oxopyrazin-1-yl)acetate
- English name
- ethyl 3-chloro-2-oxopyrazine-1(2H)-carboxylate
- Molecular formula
- C7H7ClN2O3
- Molecular weight
- 202.6
Names & synonyms
Ethyl 2-(3-chloro-2-oxopyrazin-1(2H)-yl)acetate1194374-11-2DTXSID30432830RefChem:342409DTXCID50383658ethyl 2-(3-chloro-2-oxopyrazin-1-yl)acetateEthyl (3-Chloro-2-oxopyrazin-1(2H)-yl)acetateethyl 2-(3-chloro-2-oxo-1,2-dihydropyrazin-1-yl)acetateMFCD11973832Ethyl 2-(3-chloro-2-oxo-pyrazin-1-yl)acetateSCHEMBL12636575SBB053943
Show more names
Ethyl 3-chloro-2-oxo-1(2H)-pyrazinecarboxylateethyl 3-chloro-2-oxopyrazine-1(2H)-carboxylate3-Chloro-2-oxo-1(2H)-pyrazinecarboxylic acid ethyl ester1(2H)-Pyrazinecarboxylic acid, 3-chloro-2-oxo-, ethyl ester
AKOS015843410DB-061563DB-070445CS-0452501ethyl 2-(3-chloro-2-oxohydropyrazinyl)acetate
Database identifiers
- CAS
1194374-11-2- PubChem CID
- 9920821
- DTXSID
DTXSID30432830
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 312
Physicochemical properties
- Boiling point
- 282 ℃ · 282℃
- Density
- 1.42 · 1.42
- Flash point
- 124 ℃ · 124℃
- storage temp.
- 2 · 2-8°C
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
天津安浩生物科技有限公司[email protected]
斯派螺（武汉）药物研发有限公司[email protected]
兰州康寓信生物科技有限公司0943-8293106 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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