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


Chemical Name: Benzene, 1-isocyanato-2,4-dimethyl-
CAS Number: 51163-29-2
Product Number: AG003FUK(AGN-PC-0LOH1I)
Synonyms:
MDL No:
Molecular Formula: C9H9NO
Molecular Weight: 147.1739

Identification/Properties


Computed Properties
Molecular Weight:
147.177g/mol
XLogP3:
3.5
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

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NMR Spectrum


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