Benzonitrile, 3-bromo-4-hydroxy-


Chemical Name: Benzonitrile, 3-bromo-4-hydroxy-
CAS Number: 2315-86-8
Product Number: AG002ME2(AGN-PC-0JLPAQ)
Synonyms:
MDL No:
Molecular Formula: C7H4BrNO
Molecular Weight: 198.0168

Identification/Properties


Properties
MP:
155-159 °C(lit.)
BP:
271.1°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
198.019g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
196.948g/mol
Monoisotopic Mass:
196.948g/mol
Topological Polar Surface Area:
44A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
162
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
Precautionary Statements:
P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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