5-Bromo-2-Chlorophenylisocyanate


Chemical Name: 5-Bromo-2-Chlorophenylisocyanate
CAS Number: 923693-67-8
Product Number: AG006JAI(AGN-PC-0WAB48)
Synonyms:
MDL No:
Molecular Formula: C7H3BrClNO
Molecular Weight: 232.4618

Identification/Properties


Computed Properties
Molecular Weight:
232.461g/mol
XLogP3:
4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
230.909g/mol
Monoisotopic Mass:
230.909g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
181
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:
Warning
UN#:
N/A
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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