2-Benzoxazoleacetonitrile


Chemical Name: 2-Benzoxazoleacetonitrile
CAS Number: 15344-56-6
Product Number: AG00AQ2T(AGN-PC-0JWW74)
Synonyms:
MDL No:
Molecular Formula: C9H6N2O
Molecular Weight: 158.1567

Identification/Properties


Properties
MP:
56-57℃
Storage:
Keep in dry area;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
158.16g/mol
XLogP3:
1.5
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
158.048g/mol
Monoisotopic Mass:
158.048g/mol
Topological Polar Surface Area:
49.8A^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

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P330-P332+P313-P337+P313-P340-P362-P403-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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