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Home > Nitro Compounds > 192635-45-3
192635-45-3 | Benzoic acid, 5-nitro-2-(3-pentadecylphenoxy)-
CAS No: 192635-45-3 Catalog No: AG002G5G MDL No:
Product Description
Catalog Number:
AG002G5G
Chemical Name:
Benzoic acid, 5-nitro-2-(3-pentadecylphenoxy)-
CAS Number:
192635-45-3
Molecular Formula:
C28H39NO5
Molecular Weight:
469.6130
IUPAC Name:
5-nitro-2-(3-pentadecylphenoxy)benzoic acid
InChI:
InChI=1S/C28H39NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-17-15-18-25(21-23)34-27-20-19-24(29(32)33)22-26(27)28(30)31/h15,17-22H,2-14,16H2,1H3,(H,30,31)
InChI Key:
KLPCLKBTEZQLKF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCc1cccc(c1)Oc1ccc(cc1C(=O)O)[N+](=O)[O-]
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
469.283g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
469.622g/mol
Monoisotopic Mass:
469.283g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.6
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