Basic information
- CAS
29969-56-0- Standard SMILES
CCOC(=O)c1ccc2nc(Cl)ccc2c1- InChIKey
LDEPURZVGHLAOX-UHFFFAOYSA-N- Molecular formula
- C12H10ClNO2
- Average molar mass
- 235.66 g/mol
- Monoisotopic mass
- 235.0400063
Names & identifiers
- Preferred name
- Ethyl 2-chloroquinoline-6-carboxylate
- IUPAC
- ethyl 2-chloroquinoline-6-carboxylate
- English name
- ethyl 2-chloroquinoline-6-carboxylate
- Molecular formula
- C12H10ClNO2
- Molecular weight
- 235.67
Names & synonyms
Ethyl 2-chloroquinoline-6-carboxylate29969-56-0MFCD22371634SCHEMBL3267461DTXSID80591183LDEPURZVGHLAOX-UHFFFAOYSA-NEthyl2-chloroquinoline-6-carboxylateAKOS007036513SB69086WS-02227DB-360380CS-0328060
Show more names
6-Quinolinecarboxylic acid, 2-chloro-, ethyl ester
2-chloro-quinoline-6-carboxylic acid ethyl ester
Database identifiers
- CAS
29969-56-0- PubChem CID
- 17834353
- DTXSID
DTXSID80591183
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 259
Physicochemical properties
- Boiling point
- 356 · 356.0±22.0 °C(Predicted)
- Density
- 1.286 · 1.286±0.06 g/cm3(Predicted)
- pka
- -0.55 · -0.55±0.43(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
Safety & regulation
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers13 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
宁波季诺化学品有限公司0574-87314919 057487319282 · [email protected]
常州琬瑶生物科技有限公司051989185693 15312551983 · [email protected]
北京零式京安科技有限责任公司10-61256048 13810278579 · [email protected]
南通博苏医药科技有限公司0513-51005092; 15962844273 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
上海平果医药科技有限公司021-20432229 · [email protected]
江苏艾康生物医药研发有限公司025-66113011 19370895928 · [email protected]
上海肯恩化学科技有限公司13701870891; 02152215958 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
5 records
Compound notes
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