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166766-04-7 | 4-Isoxazolediazonium, 3,5-dimethyl-, chloride (1:1)
CAS No: 166766-04-7 Catalog No: AG001WXR MDL No:
Product Description
Catalog Number:
AG001WXR
Chemical Name:
4-Isoxazolediazonium, 3,5-dimethyl-, chloride (1:1)
CAS Number:
166766-04-7
Molecular Formula:
C5H6ClN3O
Molecular Weight:
159.5736
IUPAC Name:
3,5-dimethyl-1,2-oxazole-4-diazonium;chloride
InChI:
InChI=1S/C5H6N3O.ClH/c1-3-5(7-6)4(2)9-8-3;/h1-2H3;1H/q+1;/p-1
InChI Key:
ZJJHSOKUVGNCAW-UHFFFAOYSA-M
SMILES:
N#[N+]c1c(C)noc1C.[Cl-]
Properties
Complexity:
150
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.02g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.573g/mol
Monoisotopic Mass:
159.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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