Benzene, 1-chloro-3-(2-isocyanatoethyl)-


Chemical Name: Benzene, 1-chloro-3-(2-isocyanatoethyl)-
CAS Number: 62334-11-6
Product Number: AG003JB2(AGN-PC-002BAU)
Synonyms:
MDL No:
Molecular Formula: C9H8ClNO
Molecular Weight: 181.61892

Identification/Properties


Computed Properties
Molecular Weight:
181.619g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
181.029g/mol
Monoisotopic Mass:
181.029g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
177
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


NMR Spectrum


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