Home Other Building Blocks 2-CHLORO-5-ISOPROPYL-1,3,4-OXADIAZOLE

2-CHLORO-5-ISOPROPYL-1,3,4-OXADIAZOLE

CAS No.:
1368687-66-4
Catalog Number:
AG01BTQY
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
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Product Description
Catalog Number:
AG01BTQY
Chemical Name:
2-CHLORO-5-ISOPROPYL-1,3,4-OXADIAZOLE
CAS Number:
1368687-66-4
Molecular Formula:
C5H7ClN2O
Molecular Weight:
146.5749
MDL Number:
MFCD21880098
IUPAC Name:
2-chloro-5-propan-2-yl-1,3,4-oxadiazole
InChI:
InChI=1S/C5H7ClN2O/c1-3(2)4-7-8-5(6)9-4/h3H,1-2H3
InChI Key:
NJQDEQNMPBIPEW-UHFFFAOYSA-N
SMILES:
CC(c1nnc(o1)Cl)C
Properties
Complexity:
99  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.025g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.574g/mol
Monoisotopic Mass:
146.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties