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1199-49-1 | 1,2,4-Oxadiazole, 3-(1-methylethyl)-5-(trichloromethyl)-
CAS No: 1199-49-1 Catalog No: AG000PUV MDL No:MFCD18380641
Product Description
Catalog Number:
AG000PUV
Chemical Name:
1,2,4-Oxadiazole, 3-(1-methylethyl)-5-(trichloromethyl)-
CAS Number:
1199-49-1
Molecular Formula:
C6H7Cl3N2O
Molecular Weight:
229.4916
MDL Number:
MFCD18380641
IUPAC Name:
3-propan-2-yl-5-(trichloromethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C6H7Cl3N2O/c1-3(2)4-10-5(12-11-4)6(7,8)9/h3H,1-2H3
InChI Key:
NLZBSAZGBAZSOS-UHFFFAOYSA-N
SMILES:
CC(c1noc(n1)C(Cl)(Cl)Cl)C
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.962g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.485g/mol
Monoisotopic Mass:
227.962g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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