Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-


Chemical Name: Benzene, 2-isocyanato-1,3-bis(1-methylethyl)-
CAS Number: 28178-42-9
Product Number: AG003G4Y(AGN-PC-0JLZK2)
Synonyms:
MDL No: MFCD00008882
Molecular Formula: C13H17NO
Molecular Weight: 203.2802

Identification/Properties


Properties
BP:
117 °C10 mm Hg(lit.)
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Stability:
Moisture Sensitive
Refractive Index:
n20/D 1.519(lit.)
Computed Properties
Molecular Weight:
203.285g/mol
XLogP3:
5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
203.131g/mol
Monoisotopic Mass:
203.131g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
225
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


Request for Quotation


Customer Feedback