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127274-77-5 | Benzene, 1-nitro-4-octadecyl-
CAS No: 127274-77-5 Catalog No: AG000WTI MDL No:
Product Description
Catalog Number:
AG000WTI
Chemical Name:
Benzene, 1-nitro-4-octadecyl-
CAS Number:
127274-77-5
Molecular Formula:
C24H41NO2
Molecular Weight:
375.5878
IUPAC Name:
1-nitro-4-octadecylbenzene
InChI:
InChI=1S/C24H41NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19-21-24(22-20-23)25(26)27/h19-22H,2-18H2,1H3
InChI Key:
XDWOIFDLFOKUTH-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCCc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.314g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.597g/mol
Monoisotopic Mass:
375.314g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
10.9
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