Benzene, 1-bromo-3-isocyanato-


Chemical Name: Benzene, 1-bromo-3-isocyanato-
CAS Number: 23138-55-8
Product Number: AG002MB6(AGN-PC-0JMRPE)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO
Molecular Weight: 198.0168

Identification/Properties


Properties
Storage:
Inert atmosphere;2-8℃;
Form:
Liquid
Computed Properties
Molecular Weight:
198.019g/mol
XLogP3:
3.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
1
Exact Mass:
196.948g/mol
Monoisotopic Mass:
196.948g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
154
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#:
-
Hazard Statements:
H302+H312+H332-H315-H319-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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