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1190317-02-2 | 2H-Pyrrolo[2,3-b]pyridin-2-one, 4-amino-6-fluoro-1,3-dihydro-
CAS No: 1190317-02-2 Catalog No: AG000HQR MDL No:
Product Description
Catalog Number:
AG000HQR
Chemical Name:
2H-Pyrrolo[2,3-b]pyridin-2-one, 4-amino-6-fluoro-1,3-dihydro-
CAS Number:
1190317-02-2
Molecular Formula:
C7H6FN3O
Molecular Weight:
167.1404
IUPAC Name:
4-amino-6-fluoro-1,3-dihydropyrrolo[2,3-b]pyridin-2-one
InChI:
InChI=1S/C7H6FN3O/c8-5-2-4(9)3-1-6(12)11-7(3)10-5/h2H,1H2,(H3,9,10,11,12)
InChI Key:
VBSRYALISHZYAS-UHFFFAOYSA-N
SMILES:
O=C1Nc2c(C1)c(N)cc(n2)F
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.049g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
167.143g/mol
Monoisotopic Mass:
167.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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