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88138-53-8 | Benzene, 1-[(8-bromooctyl)oxy]-4-nitro-
CAS No: 88138-53-8 Catalog No: AG004DGE MDL No:
Product Description
Catalog Number:
AG004DGE
Chemical Name:
Benzene, 1-[(8-bromooctyl)oxy]-4-nitro-
CAS Number:
88138-53-8
Molecular Formula:
C14H20BrNO3
Molecular Weight:
330.2175
IUPAC Name:
1-(8-bromooctoxy)-4-nitrobenzene
InChI:
InChI=1S/C14H20BrNO3/c15-11-5-3-1-2-4-6-12-19-14-9-7-13(8-10-14)16(17)18/h7-10H,1-6,11-12H2
InChI Key:
LZLYKMANGJCWHY-UHFFFAOYSA-N
SMILES:
BrCCCCCCCCOc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
237
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.222g/mol
Monoisotopic Mass:
329.063g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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