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Home > Nitro Compounds > 157846-99-6
157846-99-6 | Methanone, (1-methyl-1H-pyrrol-2-yl)(4-nitrophenyl)-
CAS No: 157846-99-6 Catalog No: AG001PR3 MDL No:
Product Description
Catalog Number:
AG001PR3
Chemical Name:
Methanone, (1-methyl-1H-pyrrol-2-yl)(4-nitrophenyl)-
CAS Number:
157846-99-6
Molecular Formula:
C12H10N2O3
Molecular Weight:
230.2194
IUPAC Name:
(1-methylpyrrol-2-yl)-(4-nitrophenyl)methanone
InChI:
InChI=1S/C12H10N2O3/c1-13-8-2-3-11(13)12(15)9-4-6-10(7-5-9)14(16)17/h2-8H,1H3
InChI Key:
BCYUCOTXUBWXBX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)C(=O)c1cccn1C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.223g/mol
Monoisotopic Mass:
230.069g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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