Benzene, isocyanomethyl-


Chemical Name: Benzene, isocyanomethyl-
CAS Number: 10340-91-7
Product Number: AG003O48(AGN-PC-0JLTYR)
Synonyms:
MDL No:
Molecular Formula: C8H7N
Molecular Weight: 117.1479

Identification/Properties


Properties
BP:
105-106 °C75 mm Hg(lit.)
Storage:
Inert atmosphere;-10 ℃;
Form:
Liquid
Refractive Index:
n20/D 1.521(lit.)
Computed Properties
Molecular Weight:
117.151g/mol
XLogP3:
1.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
1
Exact Mass:
117.058g/mol
Monoisotopic Mass:
117.058g/mol
Topological Polar Surface Area:
4.4A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
114
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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