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Home > Nitro Compounds > 870888-41-8
870888-41-8 | Pyrrolidine, 2,5-dimethyl-3-(4-nitro-1-naphthalenyl)-
CAS No: 870888-41-8 Catalog No: AG004LKS MDL No:
Product Description
Catalog Number:
AG004LKS
Chemical Name:
Pyrrolidine, 2,5-dimethyl-3-(4-nitro-1-naphthalenyl)-
CAS Number:
870888-41-8
Molecular Formula:
C16H18N2O2
Molecular Weight:
270.3263
IUPAC Name:
2,5-dimethyl-3-(4-nitronaphthalen-1-yl)pyrrolidine
InChI:
InChI=1S/C16H18N2O2/c1-10-9-15(11(2)17-10)13-7-8-16(18(19)20)14-6-4-3-5-12(13)14/h3-8,10-11,15,17H,9H2,1-2H3
InChI Key:
JHWKMXGPZQYMQI-UHFFFAOYSA-N
SMILES:
CC1NC(C(C1)c1ccc(c2c1cccc2)[N+](=O)[O-])C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
270.137g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
270.332g/mol
Monoisotopic Mass:
270.137g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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