Benzene, 1-isocyanato-4-(1-methylethyl)-


Chemical Name: Benzene, 1-isocyanato-4-(1-methylethyl)-
CAS Number: 31027-31-3
Product Number: AG003LLO(AGN-PC-0JM0O7)
Synonyms:
MDL No:
Molecular Formula: C10H11NO
Molecular Weight: 161.2004

Identification/Properties


Properties
Storage:
2-8℃;Keep in dry area;
Computed Properties
Molecular Weight:
161.204g/mol
XLogP3:
3.8
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
161.084g/mol
Monoisotopic Mass:
161.084g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
174
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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