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Home > Nitro Compounds > 100825-43-2
100825-43-2 | Pentadecanoic acid, 4-nitrophenyl ester
CAS No: 100825-43-2 Catalog No: AG0002Y9 MDL No:
Product Description
Catalog Number:
AG0002Y9
Chemical Name:
Pentadecanoic acid, 4-nitrophenyl ester
CAS Number:
100825-43-2
Molecular Formula:
C21H33NO4
Molecular Weight:
363.4910
IUPAC Name:
(4-nitrophenyl) pentadecanoate
InChI:
InChI=1S/C21H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21(23)26-20-17-15-19(16-18-20)22(24)25/h15-18H,2-14H2,1H3
InChI Key:
HZEBRHPDHWBCMM-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCC(=O)Oc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
373
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.241g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
363.498g/mol
Monoisotopic Mass:
363.241g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
72.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.3
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