2-isopropyl phenyl isocynate


Chemical Name: 2-isopropyl phenyl isocynate
CAS Number: 56309-56-9
Product Number: AG00E93T(AGN-PC-0WAJIH)
Synonyms:
MDL No:
Molecular Formula: C10H11NO
Molecular Weight: 161.2004

Identification/Properties


Properties
Form:
Liquid
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:
182
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


GHS Pictogram:
Signal Word:
Danger
UN#:
2206
Hazard Statements:
H301-H311-H331-H341
Precautionary Statements:
P201-P202-P261-P264-P270-P271-P280-P302+P352-P304+P340-P308+P313-P310-P330-P361-P403+P233-P405-P501
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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