Ethyl 4-chloro-6,7,8-trifluoroquinoline-3-carboxylate

HCID 24701792
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Basic information

CAS
207231-24-1
Standard SMILES
CCOC(=O)c1cnc2c(F)c(F)c(F)cc2c1Cl
InChIKey
WCFMOGCTVPWEFW-UHFFFAOYSA-N
Molecular formula
C12H7ClF3NO2
Average molar mass
289.64 g/mol
Monoisotopic mass
289.0117408

Names & identifiers

Preferred name
Ethyl 4-chloro-6,7,8-trifluoroquinoline-3-carboxylate
IUPAC
ethyl 4-chloro-6,7,8-trifluoroquinoline-3-carboxylate
English name
ethyl 4-chloro-6,7,8-trifluoroquinoline-3-carboxylate
Molecular formula
C12H7ClF3NO2
Molecular weight
289.64

Names & synonyms

ETHYL 4-CHLORO-6,7,8-TRIFLUOROQUINOLINE-3-CARBOXYLATE207231-24-1MFCD09940895ETHYL4-CHLORO-6,7,8-TRIFLUOROQUINOLINE-3-CARBOXYLATESCHEMBL539020ethyl 4-chloro-6,7,8-trifluoro-quinoline-3-carboxylateDTXSID80640867WCFMOGCTVPWEFW-UHFFFAOYSA-NAKOS000183889SB70712AS-42395CS-0099585
Show more names
3-Quinolinecarboxylic acid, 4-chloro-6,7,8-trifluoro-, ethyl ester
F333621Ethyl 4-chloro-6,7,8-trifluoroquinoline 3-carboxylate

Database identifiers

CAS
207231-24-1
PubChem CID
24701792
DTXSID
DTXSID80640867

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
19

Physicochemical properties

Boiling point
336.4 · 336.4±37.0 °C(Predicted)
Density
1.479 · 1.479±0.06 g/cm3(Predicted)
pka
-3.07 · -3.07±0.50(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers7 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [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
New reaction record

Compound notes

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