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Home > Nitro Compounds > 820232-99-3
820232-99-3 | Pyrrolidine, 1-[4-(2-nitro-1-phenylethyl)phenyl]-
CAS No: 820232-99-3 Catalog No: AG0053EH MDL No:
Product Description
Catalog Number:
AG0053EH
Chemical Name:
Pyrrolidine, 1-[4-(2-nitro-1-phenylethyl)phenyl]-
CAS Number:
820232-99-3
Molecular Formula:
C18H20N2O2
Molecular Weight:
296.3636
IUPAC Name:
1-[4-(2-nitro-1-phenylethyl)phenyl]pyrrolidine
InChI:
InChI=1S/C18H20N2O2/c21-20(22)14-18(15-6-2-1-3-7-15)16-8-10-17(11-9-16)19-12-4-5-13-19/h1-3,6-11,18H,4-5,12-14H2
InChI Key:
PZVACDRLEIVDQS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)CC(c1ccccc1)c1ccc(cc1)N1CCCC1
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.152g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.37g/mol
Monoisotopic Mass:
296.152g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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