1H-Benzimidazole-5-carbonitrile, 2-chloro-


Chemical Name: 1H-Benzimidazole-5-carbonitrile, 2-chloro-
CAS Number: 401567-00-8
Product Number: AG00BZJN(AGN-PC-0O9ZA0)
Synonyms:
MDL No:
Molecular Formula: C8H4ClN3
Molecular Weight: 177.5905

Identification/Properties


Properties
BP:
423.518 °C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
177.591g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
177.009g/mol
Monoisotopic Mass:
177.009g/mol
Topological Polar Surface Area:
52.5A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
222
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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