Benzene, 1-ethynyl-3-nitro-


Chemical Name: Benzene, 1-ethynyl-3-nitro-
CAS Number: 3034-94-4
Product Number: AG002ZT0(AGN-PC-0JLQ0Z)
Synonyms:
MDL No:
Molecular Formula: C8H5NO2
Molecular Weight: 147.1308

Identification/Properties


Properties
MP:
25 - 26 °C
BP:
238.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Liquid
Computed Properties
Molecular Weight:
147.133g/mol
XLogP3:
2.3
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
147.032g/mol
Monoisotopic Mass:
147.032g/mol
Topological Polar Surface Area:
45.8A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
198
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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