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945470-53-1,MFCD17214299
Catalog No.:AA0039NV
945470-53-1 | 8-Chloroisoquinoline-5-carboxylic acid
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Purity
Availability
Price(USD)
Quantity
  
250mg
95%
1 week  
$526.00   $368.00
- +
1g
95%
1 week  
$1,229.00   $860.00
- +
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Technical Information
Catalog Number:
AA0039NV
Chemical Name:
8-Chloroisoquinoline-5-carboxylic acid
CAS Number:
945470-53-1
Molecular Formula:
C10H6ClNO2
Molecular Weight:
207.6131
MDL Number:
MFCD17214299
IUPAC Name:
8-chloroisoquinoline-5-carboxylic acid
InChI:
InChI=1S/C10H6ClNO2/c11-9-2-1-7(10(13)14)6-3-4-12-5-8(6)9/h1-5H,(H,13,14)
InChI Key:
QVXXRSGAKJCASV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1ccnc2)Cl
Properties
Computed Properties
 
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.009g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.613g/mol
Monoisotopic Mass:
207.009g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
8-Chloroisoquinoline-5-carboxylic acid 
945470-53-1 
AK174480 
MFCD17214299 
ZINC82769946 
AKOS022883012 
FCH1358440 
5-Isoquinolinecarboxylic acid, 8-chloro- 
AS-39980 
Literature
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