Benzene, 2-isocyanato-1-methoxy-4-methyl-


Chemical Name: Benzene, 2-isocyanato-1-methoxy-4-methyl-
CAS Number: 59741-04-7
Product Number: AG003HJB(AGN-PC-0L623F)
Synonyms:
MDL No:
Molecular Formula: C9H9NO2
Molecular Weight: 163.1733

Identification/Properties


Properties
BP:
254.9°C at 760 mmHg
Form:
Solid
Computed Properties
Molecular Weight:
163.176g/mol
XLogP3:
3.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
2
Exact Mass:
163.063g/mol
Monoisotopic Mass:
163.063g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
187
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:
Warning
UN#:
-
Hazard Statements:
H302-H312-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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