1,3-Benzenedicarbonitrile, 5-bromo-


Chemical Name: 1,3-Benzenedicarbonitrile, 5-bromo-
CAS Number: 160892-07-9
Product Number: AG001VG7(AGN-PC-03FKDZ)
Synonyms:
MDL No: MFCD08061936
Molecular Formula: C8H3BrN2
Molecular Weight: 207.0268

Identification/Properties


Computed Properties
Molecular Weight:
207.03g/mol
XLogP3:
2.1
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
205.948g/mol
Monoisotopic Mass:
205.948g/mol
Topological Polar Surface Area:
47.6A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
207
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+H312+H332
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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