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101670-74-0 | Isoxazolidinium, 2-(2-chloroethyl)-2-methyl-, iodide (1:1)
CAS No: 101670-74-0 Catalog No: AG00055S MDL No:
Product Description
Catalog Number:
AG00055S
Chemical Name:
Isoxazolidinium, 2-(2-chloroethyl)-2-methyl-, iodide (1:1)
CAS Number:
101670-74-0
Molecular Formula:
C6H13ClINO
Molecular Weight:
277.5310
IUPAC Name:
2-(2-chloroethyl)-2-methyl-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C6H13ClNO.HI/c1-8(5-3-7)4-2-6-9-8;/h2-6H2,1H3;1H/q+1;/p-1
InChI Key:
LFPQJMNBGOQGKV-UHFFFAOYSA-M
SMILES:
ClCC[N+]1(C)CCCO1.[I-]
Properties
Complexity:
99.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.973g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.53g/mol
Monoisotopic Mass:
276.973g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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