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Home > Nitro Compounds > 820232-98-2
820232-98-2 | 1H-Pyrrole, 2-(2-nitro-1-phenylethyl)-1-phenyl-
CAS No: 820232-98-2 Catalog No: AG005D9P MDL No:
Product Description
Catalog Number:
AG005D9P
Chemical Name:
1H-Pyrrole, 2-(2-nitro-1-phenylethyl)-1-phenyl-
CAS Number:
820232-98-2
Molecular Formula:
C18H16N2O2
Molecular Weight:
292.3318
IUPAC Name:
2-(2-nitro-1-phenylethyl)-1-phenylpyrrole
InChI:
InChI=1S/C18H16N2O2/c21-20(22)14-17(15-8-3-1-4-9-15)18-12-7-13-19(18)16-10-5-2-6-11-16/h1-13,17H,14H2
InChI Key:
VIZFMKJWSCFHEX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1cccn1c1ccccc1)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.121g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.338g/mol
Monoisotopic Mass:
292.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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