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Home > Nitro Compounds > 647843-28-5
647843-28-5 | 1H-Pyrrole, 1-(4-ethoxy-2-nitrophenyl)-2,5-dimethyl-
CAS No: 647843-28-5 Catalog No: AG00H6HY MDL No:
Product Description
Catalog Number:
AG00H6HY
Chemical Name:
1H-Pyrrole, 1-(4-ethoxy-2-nitrophenyl)-2,5-dimethyl-
CAS Number:
647843-28-5
Molecular Formula:
C14H16N2O3
Molecular Weight:
260.2884
IUPAC Name:
1-(4-ethoxy-2-nitrophenyl)-2,5-dimethylpyrrole
InChI:
InChI=1S/C14H16N2O3/c1-4-19-12-7-8-13(14(9-12)16(17)18)15-10(2)5-6-11(15)3/h5-9H,4H2,1-3H3
InChI Key:
AGKFXLAWYHPBSQ-UHFFFAOYSA-N
SMILES:
CCOc1ccc(c(c1)[N+](=O)[O-])n1c(C)ccc1C
Properties
Complexity:
308
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.293g/mol
Monoisotopic Mass:
260.116g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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