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Home > Nitro Compounds > 183022-61-9
183022-61-9 | Benzene, 1-ethynyl-4-[2-(4-nitrophenyl)ethynyl]-
CAS No: 183022-61-9 Catalog No: AG0024CJ MDL No:
Product Description
Catalog Number:
AG0024CJ
Chemical Name:
Benzene, 1-ethynyl-4-[2-(4-nitrophenyl)ethynyl]-
CAS Number:
183022-61-9
Molecular Formula:
C16H9NO2
Molecular Weight:
247.2482
IUPAC Name:
1-ethynyl-4-[2-(4-nitrophenyl)ethynyl]benzene
InChI:
InChI=1S/C16H9NO2/c1-2-13-3-5-14(6-4-13)7-8-15-9-11-16(12-10-15)17(18)19/h1,3-6,9-12H
InChI Key:
LLRYRTJSRKQYCE-UHFFFAOYSA-N
SMILES:
C#Cc1ccc(cc1)C#Cc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.063g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.253g/mol
Monoisotopic Mass:
247.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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