Home Halogens 2-methyl-5-(trichloromethyl)-1,3,4-oxadiazole

2-methyl-5-(trichloromethyl)-1,3,4-oxadiazole

CAS No.:
1195-26-2
Catalog Number:
AG01AHBL
Molecular Formula:
C4H3Cl3N2O
Molecular Weight:
201.4384
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Product Description
Catalog Number:
AG01AHBL
Chemical Name:
2-methyl-5-(trichloromethyl)-1,3,4-oxadiazole
CAS Number:
1195-26-2
Molecular Formula:
C4H3Cl3N2O
Molecular Weight:
201.4384
MDL Number:
MFCD18838676
IUPAC Name:
2-methyl-5-(trichloromethyl)-1,3,4-oxadiazole
InChI:
InChI=1S/C4H3Cl3N2O/c1-2-8-9-3(10-2)4(5,6)7/h1H3
InChI Key:
DOQORJAFSVBZPF-UHFFFAOYSA-N
SMILES:
ClC(c1nnc(o1)C)(Cl)Cl
Properties
Complexity:
126  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.931g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.431g/mol
Monoisotopic Mass:
199.931g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties