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92712-43-1 | 2H-Tetrazole, 5-(phenylmethyl)-2-(2,3,3-triiodo-2-propenyl)-
CAS No: 92712-43-1 Catalog No: AG0061U2 MDL No:
Product Description
Catalog Number:
AG0061U2
Chemical Name:
2H-Tetrazole, 5-(phenylmethyl)-2-(2,3,3-triiodo-2-propenyl)-
CAS Number:
92712-43-1
Molecular Formula:
C11H9I3N4
Molecular Weight:
577.9294
IUPAC Name:
5-benzyl-2-(2,3,3-triiodoprop-2-enyl)tetrazole
InChI:
InChI=1S/C11H9I3N4/c12-9(11(13)14)7-18-16-10(15-17-18)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
XEUMFUCODDMGCX-UHFFFAOYSA-N
SMILES:
IC(=C(Cn1nnc(n1)Cc1ccccc1)I)I
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
577.796g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
577.934g/mol
Monoisotopic Mass:
577.796g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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