Benzene, 1-(2-isocyanatoethyl)-4-methoxy-


Chemical Name: Benzene, 1-(2-isocyanatoethyl)-4-methoxy-
CAS Number: 52634-59-0
Product Number: AG003LO2(AGN-PC-0L8WEU)
Synonyms:
MDL No:
Molecular Formula: C10H11NO2
Molecular Weight: 177.1998

Identification/Properties


Computed Properties
Molecular Weight:
177.203g/mol
XLogP3:
2.9
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
4
Exact Mass:
177.079g/mol
Monoisotopic Mass:
177.079g/mol
Topological Polar Surface Area:
38.7A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
179
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:
H302-H315-H319-H331-H334-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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