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1016241-84-1 | 5H-Pyrrolo[2,3-b]pyrazine-6-carboxylic acid, 2-fluoro-
CAS No: 1016241-84-1 Catalog No: AG0004ZT MDL No:
Product Description
Catalog Number:
AG0004ZT
Chemical Name:
5H-Pyrrolo[2,3-b]pyrazine-6-carboxylic acid, 2-fluoro-
CAS Number:
1016241-84-1
Molecular Formula:
C7H4FN3O2
Molecular Weight:
181.1240
IUPAC Name:
2-fluoro-5H-pyrrolo[2,3-b]pyrazine-6-carboxylic acid
InChI:
InChI=1S/C7H4FN3O2/c8-5-2-9-6-3(10-5)1-4(11-6)7(12)13/h1-2H,(H,9,11)(H,12,13)
InChI Key:
KNVLQSINHMBKCE-UHFFFAOYSA-N
SMILES:
Fc1cnc2c(n1)cc([nH]2)C(=O)O
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.029g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.126g/mol
Monoisotopic Mass:
181.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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