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2169007-97-8 | 6-fluoroisoquinoline-4-carboxylic acid
CAS No: 2169007-97-8 Catalog No: AG01FIYZ MDL No:
Product Description
Catalog Number:
AG01FIYZ
Chemical Name:
6-fluoroisoquinoline-4-carboxylic acid
CAS Number:
2169007-97-8
Molecular Formula:
C10H6FNO2
Molecular Weight:
191.1585
IUPAC Name:
6-fluoroisoquinoline-4-carboxylic acid
InChI:
InChI=1S/C10H6FNO2/c11-7-2-1-6-4-12-5-9(10(13)14)8(6)3-7/h1-5H,(H,13,14)
InChI Key:
CLOAASBHTUUEBW-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(cnc2)C(=O)O
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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