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1260835-91-3 | 5-Isoquinolinecarboxylic acid, 6-fluoro-
CAS No: 1260835-91-3 Catalog No: AG000RF6 MDL No:
Product Description
Catalog Number:
AG000RF6
Chemical Name:
5-Isoquinolinecarboxylic acid, 6-fluoro-
CAS Number:
1260835-91-3
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
IUPAC Name:
6-fluoroisoquinoline-5-carboxylic acid
InChI:
InChI=1S/C10H6FNO2/c11-8-2-1-6-5-12-4-3-7(6)9(8)10(13)14/h1-5H,(H,13,14)
InChI Key:
MUMXKGQNRDECEB-UHFFFAOYSA-N
SMILES:
OC(=O)c1c(F)ccc2c1ccnc2
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
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