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Home > Nitro Compounds > 827340-46-5
827340-46-5 | Benzene, 1-[(hexadecyloxy)methyl]-2-nitro-
CAS No: 827340-46-5 Catalog No: AG004ZPW MDL No:
Product Description
Catalog Number:
AG004ZPW
Chemical Name:
Benzene, 1-[(hexadecyloxy)methyl]-2-nitro-
CAS Number:
827340-46-5
Molecular Formula:
C23H39NO3
Molecular Weight:
377.5607
IUPAC Name:
1-(hexadecoxymethyl)-2-nitrobenzene
InChI:
InChI=1S/C23H39NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-20-27-21-22-18-15-16-19-23(22)24(25)26/h15-16,18-19H,2-14,17,20-21H2,1H3
InChI Key:
MULCANLIPPLEJB-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCOCc1ccccc1[N+](=O)[O-]
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.293g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
377.569g/mol
Monoisotopic Mass:
377.293g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.5
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