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120003-15-8 | 1,2,4-Oxadiazole, 5-(chloromethyl)-3-(methoxymethyl)-
CAS No: 120003-15-8 Catalog No: AG000Q1Z MDL No:MFCD08691644
Product Description
Catalog Number:
AG000Q1Z
Chemical Name:
1,2,4-Oxadiazole, 5-(chloromethyl)-3-(methoxymethyl)-
CAS Number:
120003-15-8
Molecular Formula:
C5H7ClN2O2
Molecular Weight:
162.5743
MDL Number:
MFCD08691644
IUPAC Name:
5-(chloromethyl)-3-(methoxymethyl)-1,2,4-oxadiazole
InChI:
InChI=1S/C5H7ClN2O2/c1-9-3-4-7-5(2-6)10-8-4/h2-3H2,1H3
InChI Key:
VLXVPDOWMACDNZ-UHFFFAOYSA-N
SMILES:
COCc1noc(n1)CCl
Properties
Complexity:
104
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
162.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
162.573g/mol
Monoisotopic Mass:
162.02g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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