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1016241-85-2 | 5H-Pyrrolo[2,3-b]pyrazine-6-carboxylic acid, 2-fluoro-, ethyl ester
CAS No: 1016241-85-2 Catalog No: AG0004ZS MDL No:
Product Description
Catalog Number:
AG0004ZS
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine-6-carboxylic acid, 2-fluoro-, ethyl ester
CAS Number:
1016241-85-2
Molecular Formula:
C9H8FN3O2
Molecular Weight:
209.1771
IUPAC Name:
ethyl 2-fluoro-5H-pyrrolo[2,3-b]pyrazine-6-carboxylate
InChI:
InChI=1S/C9H8FN3O2/c1-2-15-9(14)6-3-5-8(13-6)11-4-7(10)12-5/h3-4H,2H2,1H3,(H,11,13)
InChI Key:
BFJAXFDCCOWXDM-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1cc2c([nH]1)ncc(n2)F
Properties
Complexity:
252
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.06g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.18g/mol
Monoisotopic Mass:
209.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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