Home Carboxys 5-fluoroisoquinoline-8-carboxylic acid

5-fluoroisoquinoline-8-carboxylic acid

CAS No.:
1369177-56-9
Catalog Number:
AG01B52K
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
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Product Description
Catalog Number:
AG01B52K
Chemical Name:
5-fluoroisoquinoline-8-carboxylic acid
CAS Number:
1369177-56-9
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
MDL Number:
MFCD26667638
IUPAC Name:
5-fluoroisoquinoline-8-carboxylic acid
InChI:
InChI=1S/C10H6FNO2/c11-9-2-1-7(10(13)14)8-5-12-4-3-6(8)9/h1-5H,(H,13,14)
InChI Key:
ZMLXSVJDCTXDNK-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c2c1cncc2)F
Properties
Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.038g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.161g/mol
Monoisotopic Mass:
191.038g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
50.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties