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Home > Nitro Compounds > 14467-65-3
14467-65-3 | Benzene, 1,1'-[1,3-propanediylbis(oxy)]bis[3-nitro- (9CI)
CAS No: 14467-65-3 Catalog No: AG001JZ9 MDL No:
Product Description
Catalog Number:
AG001JZ9
Chemical Name:
Benzene, 1,1'-[1,3-propanediylbis(oxy)]bis[3-nitro- (9CI)
CAS Number:
14467-65-3
Molecular Formula:
C15H14N2O6
Molecular Weight:
318.2815
IUPAC Name:
1-nitro-3-[3-(3-nitrophenoxy)propoxy]benzene
InChI:
InChI=1S/C15H14N2O6/c18-16(19)12-4-1-6-14(10-12)22-8-3-9-23-15-7-2-5-13(11-15)17(20)21/h1-2,4-7,10-11H,3,8-9H2
InChI Key:
WPUUBEBNMZPNCP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)OCCCOc1cccc(c1)[N+](=O)[O-]
NSC Number:
113232
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.085g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.285g/mol
Monoisotopic Mass:
318.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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