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3914-42-9 | 2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole
CAS No: 3914-42-9 Catalog No: AG0032VA MDL No:MFCD06655111
Product Description
Catalog Number:
AG0032VA
Chemical Name:
2-(Chloromethyl)-5-methyl-1,3,4-oxadiazole
CAS Number:
3914-42-9
Molecular Formula:
C4H5ClN2O
Molecular Weight:
132.5483
MDL Number:
MFCD06655111
IUPAC Name:
2-(chloromethyl)-5-methyl-1,3,4-oxadiazole
InChI:
InChI=1S/C4H5ClN2O/c1-3-6-7-4(2-5)8-3/h2H2,1H3
InChI Key:
KJLQSWULHSLSOM-UHFFFAOYSA-N
SMILES:
Cc1nnc(o1)CCl
Properties
Complexity:
80.4
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
132.009g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
132.547g/mol
Monoisotopic Mass:
132.009g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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