Ethyl 7-chloroquinoline-3-carboxylate

HCID 15525916
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Basic information

CAS
133455-49-9
Standard SMILES
CCOC(=O)c1cnc2cc(Cl)ccc2c1
InChIKey
WEDPSLVAMXVUCA-UHFFFAOYSA-N
Molecular formula
C12H10ClNO2
Average molar mass
235.66 g/mol
Monoisotopic mass
235.04000624

Names & identifiers

Preferred name
Ethyl 7-chloroquinoline-3-carboxylate
IUPAC
ethyl 7-chloroquinoline-3-carboxylate
English name
7-Chloroquinoline-3-carboxylic acid ethyl ester
Molecular formula
C12H10ClNO2
Molecular weight
235.67

Names & synonyms

Ethyl 7-chloroquinoline-3-carboxylate133455-49-9DTXSID80573666RefChem:344644DTXCID005244387-Chloroquinoline-3-carboxylic acid ethyl esterMFCD16657958SCHEMBL2204650WEDPSLVAMXVUCA-UHFFFAOYSA-NEthyl7-chloroquinoline-3-carboxylateAKOS022173618SB69238
Show more names
3-Quinolinecarboxylic acid, 7-chloro-, ethyl ester
AS-39066SY266641DB-124964CS-03616147-chloro-quinoline-3-carboxylic acid ethyl esterF753017

Database identifiers

CAS
133455-49-9
PubChem CID
15525916
DTXSID
DTXSID80573666
Nikkaji
J1.514.137I

Properties

Computed structural properties

XLogP
3
Topological polar surface area
39.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
16

Physicochemical properties

Melting point
90.7 · 90.7-91.2 °C
Boiling point
341.9 · 341.9±22.0 °C(Predicted)
Density
1.286 · 1.286±0.06 g/cm3(Predicted)
storage temp.
2 · Storage temp. 2-8°C
pka
1 · 1+-.0.25(Predicted)
Appearance
Off-white to yellow Solid

Chemistry & industry

Suppliers28 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]

Related reactions

9 records
New reaction record

Compound notes

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