Benzene, 1-bromo-3,5-difluoro-2-isocyanato-


Chemical Name: Benzene, 1-bromo-3,5-difluoro-2-isocyanato-
CAS Number: 190774-48-2
Product Number: AG002ESK(AGN-PC-0KK60E)
Synonyms:
MDL No:
Molecular Formula: C7H2BrF2NO
Molecular Weight: 233.9977

Identification/Properties


Computed Properties
Molecular Weight:
234g/mol
XLogP3:
3.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
232.929g/mol
Monoisotopic Mass:
232.929g/mol
Topological Polar Surface Area:
29.4A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
208
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

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NMR Spectrum


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