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858117-68-7 | Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-fluorophenyl)-
CAS No: 858117-68-7 Catalog No: AG004RC5 MDL No:
Product Description
Catalog Number:
AG004RC5
Chemical Name:
Methanone, (5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)(3-fluorophenyl)-
CAS Number:
858117-68-7
Molecular Formula:
C14H8BrFN2O
Molecular Weight:
319.1285
IUPAC Name:
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(3-fluorophenyl)methanone
InChI:
InChI=1S/C14H8BrFN2O/c15-9-5-11-12(7-18-14(11)17-6-9)13(19)8-2-1-3-10(16)4-8/h1-7H,(H,17,18)
InChI Key:
PBFOVBHCSUWFEN-UHFFFAOYSA-N
SMILES:
Fc1cccc(c1)C(=O)c1c[nH]c2c1cc(Br)cn2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.98g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
319.133g/mol
Monoisotopic Mass:
317.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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