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Home > Fluorides > 858118-29-3
858118-29-3 | Benzamide, 4-[3-(2-fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-
CAS No: 858118-29-3 Catalog No: AG004XEX MDL No:
Product Description
Catalog Number:
AG004XEX
Chemical Name:
Benzamide, 4-[3-(2-fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-
CAS Number:
858118-29-3
Molecular Formula:
C21H14FN3O2
Molecular Weight:
359.3532
IUPAC Name:
4-[3-(2-fluorobenzoyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
InChI:
InChI=1S/C21H14FN3O2/c22-18-4-2-1-3-15(18)19(26)17-11-25-21-16(17)9-14(10-24-21)12-5-7-13(8-6-12)20(23)27/h1-11H,(H2,23,27)(H,24,25)
InChI Key:
GPLZBHUEIDZQCX-UHFFFAOYSA-N
SMILES:
Fc1ccccc1C(=O)c1c[nH]c2c1cc(cn2)c1ccc(cc1)C(=O)N
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.107g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
359.36g/mol
Monoisotopic Mass:
359.107g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
88.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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