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Home > Nitro Compounds > 87520-05-6
87520-05-6 | 1H-Pyrrole, 1-methyl-2-(2-nitro-1-phenylethyl)-
CAS No: 87520-05-6 Catalog No: AG004HAQ MDL No:
Product Description
Catalog Number:
AG004HAQ
Chemical Name:
1H-Pyrrole, 1-methyl-2-(2-nitro-1-phenylethyl)-
CAS Number:
87520-05-6
Molecular Formula:
C13H14N2O2
Molecular Weight:
230.2625
IUPAC Name:
1-methyl-2-(2-nitro-1-phenylethyl)pyrrole
InChI:
InChI=1S/C13H14N2O2/c1-14-9-5-8-13(14)12(10-15(16)17)11-6-3-2-4-7-11/h2-9,12H,10H2,1H3
InChI Key:
GAQIQEWCGNERTA-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1cccn1C)c1ccccc1
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.106g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
230.267g/mol
Monoisotopic Mass:
230.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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