Benzene, 4-isocyanato-1,2-dimethyl-


Chemical Name: Benzene, 4-isocyanato-1,2-dimethyl-
CAS Number: 51163-27-0
Product Number: AG003IIW(AGN-PC-0LAAEE)
Synonyms:
MDL No:
Molecular Formula: C9H9NO
Molecular Weight: 147.1739

Identification/Properties


Properties
Form:
Liquid
Computed Properties
Molecular Weight:
147.177g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
147.068g/mol
Monoisotopic Mass:
147.068g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
172
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:
H315-H317-H319-H330-H334-H335
Precautionary Statements:
P260-P280-P284-P305+P351+P338-P310
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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