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Home > Nitro Compounds > 1224595-57-6
1224595-57-6 | 1H-Pyrrole, 2-(2-methyl-4-nitrophenyl)-
CAS No: 1224595-57-6 Catalog No: AG001795 MDL No:
Product Description
Catalog Number:
AG001795
Chemical Name:
1H-Pyrrole, 2-(2-methyl-4-nitrophenyl)-
CAS Number:
1224595-57-6
Molecular Formula:
C11H10N2O2
Molecular Weight:
202.2093
IUPAC Name:
2-(2-methyl-4-nitrophenyl)-1H-pyrrole
InChI:
InChI=1S/C11H10N2O2/c1-8-7-9(13(14)15)4-5-10(8)11-3-2-6-12-11/h2-7,12H,1H3
InChI Key:
LJDYILOJMLQHHK-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1c1ccc[nH]1)[N+](=O)[O-]
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.074g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.213g/mol
Monoisotopic Mass:
202.074g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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