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Home > Nitro Compounds > 2914-72-9
2914-72-9 | Benzene, 1-nitro-3-(4-nitrophenoxy)-
CAS No: 2914-72-9 Catalog No: AG002XGU MDL No:
Product Description
Catalog Number:
AG002XGU
Chemical Name:
Benzene, 1-nitro-3-(4-nitrophenoxy)-
CAS Number:
2914-72-9
Molecular Formula:
C12H8N2O5
Molecular Weight:
260.2023
IUPAC Name:
1-nitro-3-(4-nitrophenoxy)benzene
InChI:
InChI=1S/C12H8N2O5/c15-13(16)9-4-6-11(7-5-9)19-12-3-1-2-10(8-12)14(17)18/h1-8H
InChI Key:
RLCAMJXZACQENP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)Oc1cccc(c1)[N+](=O)[O-]
NSC Number:
45099
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.043g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.205g/mol
Monoisotopic Mass:
260.043g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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