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Home > Nitro Compounds > 68162-42-5
68162-42-5 | Benzoic acid, 4-(hexadecyloxy)-, 4-nitrophenyl ester
CAS No: 68162-42-5 Catalog No: AG005MGJ MDL No:
Product Description
Catalog Number:
AG005MGJ
Chemical Name:
Benzoic acid, 4-(hexadecyloxy)-, 4-nitrophenyl ester
CAS Number:
68162-42-5
Molecular Formula:
C29H41NO5
Molecular Weight:
483.6395
IUPAC Name:
(4-nitrophenyl) 4-hexadecoxybenzoate
InChI:
InChI=1S/C29H41NO5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-34-27-20-16-25(17-21-27)29(31)35-28-22-18-26(19-23-28)30(32)33/h16-23H,2-15,24H2,1H3
InChI Key:
DCUYWBWLSHCQSI-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOc1ccc(cc1)C(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
483.298g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.649g/mol
Monoisotopic Mass:
483.298g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
11
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