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138000-79-0

138000-79-0 | 1,2,4-Oxadiazol-5-amine, 3-(chloromethyl)-N,N-diethyl-

CAS No: 138000-79-0 Catalog No: AG0017U1 MDL No:

Product Description

Catalog Number:
AG0017U1
Chemical Name:
1,2,4-Oxadiazol-5-amine, 3-(chloromethyl)-N,N-diethyl-
CAS Number:
138000-79-0
Molecular Formula:
C7H12ClN3O
Molecular Weight:
189.6427
IUPAC Name:
3-(chloromethyl)-N,N-diethyl-1,2,4-oxadiazol-5-amine
InChI:
InChI=1S/C7H12ClN3O/c1-3-11(4-2)7-9-6(5-8)10-12-7/h3-5H2,1-2H3
InChI Key:
PMVPQGHPFXPLCZ-UHFFFAOYSA-N
SMILES:
CCN(c1onc(n1)CCl)CC

Properties

Complexity:
132  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.067g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.643g/mol
Monoisotopic Mass:
189.067g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  

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