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


Chemical Name: Benzene, 1,2-dichloro-4-(2-isocyanatoethyl)-
CAS Number: 115706-18-8
Product Number: AG000GRT(AGN-PC-0KUFQ5)
Synonyms:
MDL No:
Molecular Formula: C9H7Cl2NO
Molecular Weight: 216.0640

Identification/Properties


Computed Properties
Molecular Weight:
216.061g/mol
XLogP3:
4.2
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
3
Exact Mass:
214.99g/mol
Monoisotopic Mass:
214.99g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
204
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:
H301+H331-H315-H319-H334-H335
Precautionary Statements:
P261-P284-P301+P310+P330-P302+P352+P332+P313+P362+P364-P304+P340+P311-P305+P351+P338+P337+P313
Class:
6.1
Packing Group:

NMR Spectrum


Other Analytical Data


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