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16498-85-4,MFCD06203870
Catalog No.:AA001V4L
16498-85-4 | 3-Quinolinecarboxylic acid, 2-chloro-, methyl ester
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Purity
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Price(USD)
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250mg
95%
1 week  
$205.00
- +
1g
97%
1 week  
$417.00
- +
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Technical Information
Catalog Number:
AA001V4L
Chemical Name:
3-Quinolinecarboxylic acid, 2-chloro-, methyl ester
CAS Number:
16498-85-4
Molecular Formula:
C11H8ClNO2
Molecular Weight:
221.6397
MDL Number:
MFCD06203870
IUPAC Name:
methyl 2-chloroquinoline-3-carboxylate
InChI:
InChI=1S/C11H8ClNO2/c1-15-11(14)8-6-7-4-2-3-5-9(7)13-10(8)12/h2-6H,1H3
InChI Key:
OVPJNOFBMQEIGW-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc2ccccc2nc1Cl
Properties
Computed Properties
 
Complexity:
247  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.024g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.64g/mol
Monoisotopic Mass:
221.024g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
Methyl 2-chloroquinoline-3-carboxylate 
16498-85-4 
AKOS015850542 
PB10336 
KS-0000031D 
AS-50479 
AJ-109571 
TR-035862 
BB 0257369 
CS-0049165 
FT-0681611 
EN300-75167 
METHYL 2-CHLORO-3-QUINOLINECARBOXYLATE 
Q-2077 
2-Chloro-quinoline-3-carboxylic acid methyl ester 
I08-840 
C11H8ClNO2 
CID10966076 
3-Quinolinecarboxylic acid, 2-chloro-, methyl ester 
SCHEMBL20098513 
CTK4D1963 
DTXSID30450115 
5297AD 
MFCD06203870 
ZINC44199691 
Literature
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