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1020-94-6 | 1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-chloroethyl)-, perchlorate (1:2)
CAS No: 1020-94-6 Catalog No: AG0006A4 MDL No:
Product Description
Catalog Number:
AG0006A4
Chemical Name:
1,4-Diazoniabicyclo[2.2.1]heptane, 1,4-bis(2-chloroethyl)-, perchlorate (1:2)
CAS Number:
1020-94-6
Molecular Formula:
C9H18Cl4N2O8
Molecular Weight:
424.0598
IUPAC Name:
1,4-bis(2-chloroethyl)-1,4-diazoniabicyclo[2.2.1]heptane;diperchlorate
InChI:
InChI=1S/C9H18Cl2N2.2ClHO4/c10-1-3-12-5-7-13(9-12,4-2-11)8-6-12;2*2-1(3,4)5/h1-9H2;2*(H,2,3,4,5)/q+2;;/p-2
InChI Key:
VFNYIZWKTLDNAF-UHFFFAOYSA-L
SMILES:
[O-][Cl](=O)(=O)=O.[O-][Cl](=O)(=O)=O.ClCC[N+]12CC[N+](C2)(CC1)CCCl
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
423.979g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
424.049g/mol
Monoisotopic Mass:
421.982g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
149A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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