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Home > Nitro Compounds > 870966-68-0
870966-68-0 | Pyrrolidine, 1-(4,8-dinitro-1-naphthalenyl)-
CAS No: 870966-68-0 Catalog No: AG004P7I MDL No:
Product Description
Catalog Number:
AG004P7I
Chemical Name:
Pyrrolidine, 1-(4,8-dinitro-1-naphthalenyl)-
CAS Number:
870966-68-0
Molecular Formula:
C14H13N3O4
Molecular Weight:
287.2707
IUPAC Name:
1-(4,8-dinitronaphthalen-1-yl)pyrrolidine
InChI:
InChI=1S/C14H13N3O4/c18-16(19)11-6-7-12(15-8-1-2-9-15)14-10(11)4-3-5-13(14)17(20)21/h3-7H,1-2,8-9H2
InChI Key:
IJUCRPUKOUBNDI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc2c1c(ccc2[N+](=O)[O-])N1CCCC1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.091g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.275g/mol
Monoisotopic Mass:
287.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
94.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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