Benzene, 1-butoxy-4-isocyanato-


Chemical Name: Benzene, 1-butoxy-4-isocyanato-
CAS Number: 28439-86-3
Product Number: AG003LTH(AGN-PC-0KKTIW)
Synonyms:
MDL No:
Molecular Formula: C11H13NO2
Molecular Weight: 191.2264

Identification/Properties


Computed Properties
Molecular Weight:
191.23g/mol
XLogP3:
4.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
5
Exact Mass:
191.095g/mol
Monoisotopic Mass:
191.095g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
14
Formal Charge:
0
Complexity:
192
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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