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Home > Nitro Compounds > 167685-26-9
167685-26-9 | 1-Octanol, 8-(2-nitrophenoxy)-
CAS No: 167685-26-9 Catalog No: AG001XIJ MDL No:
Product Description
Catalog Number:
AG001XIJ
Chemical Name:
1-Octanol, 8-(2-nitrophenoxy)-
CAS Number:
167685-26-9
Molecular Formula:
C14H21NO4
Molecular Weight:
267.3208
IUPAC Name:
8-(2-nitrophenoxy)octan-1-ol
InChI:
InChI=1S/C14H21NO4/c16-11-7-3-1-2-4-8-12-19-14-10-6-5-9-13(14)15(17)18/h5-6,9-10,16H,1-4,7-8,11-12H2
InChI Key:
BUQPLCHSTFTETQ-UHFFFAOYSA-N
SMILES:
OCCCCCCCCOc1ccccc1[N+](=O)[O-]
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.147g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.325g/mol
Monoisotopic Mass:
267.147g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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