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Home > Nitro Compounds > 896114-97-9
896114-97-9 | Acetamide, N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-
CAS No: 896114-97-9 Catalog No: AG003XF4 MDL No:
Product Description
Catalog Number:
AG003XF4
Chemical Name:
Acetamide, N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-
CAS Number:
896114-97-9
Molecular Formula:
C15H12N4O3
Molecular Weight:
296.2808
IUPAC Name:
N-[3-(5-nitro-1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]acetamide
InChI:
InChI=1S/C15H12N4O3/c1-9(20)17-12-4-2-3-10(5-12)14-7-11-6-13(19(21)22)8-16-15(11)18-14/h2-8H,1H3,(H,16,18)(H,17,20)
InChI Key:
NIBGCVISWPGWHU-UHFFFAOYSA-N
SMILES:
CC(=O)Nc1cccc(c1)c1cc2c([nH]1)ncc(c2)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
296.286g/mol
Monoisotopic Mass:
296.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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