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Home > Fluorides > 858116-91-3
858116-91-3 | Methanone, (2-fluoro-5-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl-
CAS No: 858116-91-3 Catalog No: AG004XTX MDL No:
Product Description
Catalog Number:
AG004XTX
Chemical Name:
Methanone, (2-fluoro-5-nitrophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl-
CAS Number:
858116-91-3
Molecular Formula:
C14H8FN3O3
Molecular Weight:
285.2300
IUPAC Name:
(2-fluoro-5-nitrophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
InChI:
InChI=1S/C14H8FN3O3/c15-12-4-3-8(18(20)21)6-10(12)13(19)11-7-17-14-9(11)2-1-5-16-14/h1-7H,(H,16,17)
InChI Key:
PSQYJJXWOICWMW-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1C(=O)c1c[nH]c2c1cccn2)[N+](=O)[O-]
Properties
Complexity:
428
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.055g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.234g/mol
Monoisotopic Mass:
285.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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