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116316-05-3 | Cyclooctane, 1-azido-2-(phenylseleno)-, trans- (9CI)
CAS No: 116316-05-3 Catalog No: AG000C6R MDL No:
Product Description
Catalog Number:
AG000C6R
Chemical Name:
Cyclooctane, 1-azido-2-(phenylseleno)-, trans- (9CI)
CAS Number:
116316-05-3
Molecular Formula:
C14H19N3Se
Molecular Weight:
308.2808
IUPAC Name:
1-azido-2-phenylselanylcyclooctane
InChI:
InChI=1S/C14H19N3Se/c15-17-16-13-10-6-1-2-7-11-14(13)18-12-8-4-3-5-9-12/h3-5,8-9,13-14H,1-2,6-7,10-11H2
InChI Key:
KQJLNWLQGDRNOO-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=N[C@@H]1CCCCCC[C@H]1[Se]c1ccccc1
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
308.298g/mol
Monoisotopic Mass:
309.074g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
14.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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