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122384-66-1 | 1,2,4-Oxadiazole, 3-(isocyanomethyl)-5-(1-methylethyl)-
CAS No: 122384-66-1 Catalog No: AG00176L MDL No:MFCD25956749
Product Description
Catalog Number:
AG00176L
Chemical Name:
1,2,4-Oxadiazole, 3-(isocyanomethyl)-5-(1-methylethyl)-
CAS Number:
122384-66-1
Molecular Formula:
C7H9N3O
Molecular Weight:
151.1659
MDL Number:
MFCD25956749
IUPAC Name:
3-(isocyanomethyl)-5-propan-2-yl-1,2,4-oxadiazole
InChI:
InChI=1S/C7H9N3O/c1-5(2)7-9-6(4-8-3)10-11-7/h5H,4H2,1-2H3
InChI Key:
IWMBIJCNZXXYOL-UHFFFAOYSA-N
SMILES:
[C-]#[N+]Cc1noc(n1)C(C)C
Properties
Complexity:
172
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
151.075g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
151.169g/mol
Monoisotopic Mass:
151.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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