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83798-59-8 | Ethanone, 1-[4-iodo-2-methyl-5-(2-nitrophenyl)-1H-pyrrol-3-yl]-
CAS No: 83798-59-8 Catalog No: AG004SJQ MDL No:
Product Description
Catalog Number:
AG004SJQ
Chemical Name:
Ethanone, 1-[4-iodo-2-methyl-5-(2-nitrophenyl)-1H-pyrrol-3-yl]-
CAS Number:
83798-59-8
Molecular Formula:
C13H11IN2O3
Molecular Weight:
370.1425
IUPAC Name:
1-[4-iodo-2-methyl-5-(2-nitrophenyl)-1H-pyrrol-3-yl]ethanone
InChI:
InChI=1S/C13H11IN2O3/c1-7-11(8(2)17)12(14)13(15-7)9-5-3-4-6-10(9)16(18)19/h3-6,15H,1-2H3
InChI Key:
YIHJIQDYNHROOA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccccc1c1[nH]c(c(c1I)C(=O)C)C
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.981g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
370.146g/mol
Monoisotopic Mass:
369.981g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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