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Home > Nitro Compounds > 116526-79-5
116526-79-5 | Tetradecanoic acid, 2-(3-nitrophenoxy)-, ethyl ester
CAS No: 116526-79-5 Catalog No: AG000COK MDL No:
Product Description
Catalog Number:
AG000COK
Chemical Name:
Tetradecanoic acid, 2-(3-nitrophenoxy)-, ethyl ester
CAS Number:
116526-79-5
Molecular Formula:
C22H35NO5
Molecular Weight:
393.5170
IUPAC Name:
ethyl 2-(3-nitrophenoxy)tetradecanoate
InChI:
InChI=1S/C22H35NO5/c1-3-5-6-7-8-9-10-11-12-13-17-21(22(24)27-4-2)28-20-16-14-15-19(18-20)23(25)26/h14-16,18,21H,3-13,17H2,1-2H3
InChI Key:
WKYBRYQOMQJXFS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCC(C(=O)OCC)Oc1cccc(c1)[N+](=O)[O-]
Properties
Complexity:
424
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.252g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.524g/mol
Monoisotopic Mass:
393.252g/mol
Rotatable Bond Count:
16
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8.2
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