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Home > Nitro Compounds > 65039-18-1
65039-18-1 | 4-N-DODECYLOXYNITROBENZENE
CAS No: 65039-18-1 Catalog No: AG003LTU MDL No:MFCD00024678
Product Description
Catalog Number:
AG003LTU
Chemical Name:
4-N-DODECYLOXYNITROBENZENE
CAS Number:
65039-18-1
Molecular Formula:
C18H29NO3
Molecular Weight:
307.4278
MDL Number:
MFCD00024678
IUPAC Name:
1-dodecoxy-4-nitrobenzene
InChI:
InChI=1S/C18H29NO3/c1-2-3-4-5-6-7-8-9-10-11-16-22-18-14-12-17(13-15-18)19(20)21/h12-15H,2-11,16H2,1H3
InChI Key:
VZOAOBWVYOLSII-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
270
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.215g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.434g/mol
Monoisotopic Mass:
307.215g/mol
Rotatable Bond Count:
12
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.4
Literature
| Title | Journal |
|---|---|
| 1-Dodec-yloxy-4-nitro-benzene. | Acta crystallographica. Section E, Structure reports online 20091201 |
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