Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-


Chemical Name: Benzene, 2-isocyanato-1-methyl-3-(1-methylethyl)-
CAS Number: 102561-43-3
Product Number: AG0007PF(AGN-PC-0LCNWL)
Synonyms:
MDL No:
Molecular Formula: C11H13NO
Molecular Weight: 175.2270

Identification/Properties


Computed Properties
Molecular Weight:
175.231g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
2
Exact Mass:
175.1g/mol
Monoisotopic Mass:
175.1g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
206
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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