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Home > Nitro Compounds > 823228-04-2
823228-04-2 | Benzene, 1-(3-decene-1,5-diynyl)-4-nitro-
CAS No: 823228-04-2 Catalog No: AG005E1J MDL No:
Product Description
Catalog Number:
AG005E1J
Chemical Name:
Benzene, 1-(3-decene-1,5-diynyl)-4-nitro-
CAS Number:
823228-04-2
Molecular Formula:
C16H15NO2
Molecular Weight:
253.2958
IUPAC Name:
1-dec-3-en-1,5-diynyl-4-nitrobenzene
InChI:
InChI=1S/C16H15NO2/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(14-12-15)17(18)19/h7-8,11-14H,2-4H2,1H3
InChI Key:
OTWJCQYEDLXPNC-UHFFFAOYSA-N
SMILES:
CCCCC#CC=CC#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.11g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
253.301g/mol
Monoisotopic Mass:
253.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.1
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