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101670-73-9 | Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide (1:1)
CAS No: 101670-73-9 Catalog No: AG00055T MDL No:
Product Description
Catalog Number:
AG00055T
Chemical Name:
Isoxazolidinium, 2,2-bis(2-chloroethyl)-, iodide (1:1)
CAS Number:
101670-73-9
Molecular Formula:
C7H14Cl2INO
Molecular Weight:
326.0026
IUPAC Name:
2,2-bis(2-chloroethyl)-1,2-oxazolidin-2-ium;iodide
InChI:
InChI=1S/C7H14Cl2NO.HI/c8-2-5-10(6-3-9)4-1-7-11-10;/h1-7H2;1H/q+1;/p-1
InChI Key:
ATMKESHMTUZCAJ-UHFFFAOYSA-M
SMILES:
ClCC[N+]1(CCCl)CCCO1.[I-]
NSC Number:
17660
Properties
Complexity:
115
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.95g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
325.999g/mol
Monoisotopic Mass:
324.95g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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