1,2,4-Oxadiazole, 3-(chloromethyl)-


Chemical Name: 1,2,4-Oxadiazole, 3-(chloromethyl)-
CAS Number: 51791-12-9
Product Number: AG00D8YP(AGN-PC-0KK7BY)
Synonyms:
MDL No:
Molecular Formula: C3H3ClN2O
Molecular Weight: 118.5217

Identification/Properties


Computed Properties
Molecular Weight:
118.52g/mol
XLogP3:
0.6
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
117.993g/mol
Monoisotopic Mass:
117.993g/mol
Topological Polar Surface Area:
38.9A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
60.9
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-H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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