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88142-01-2 | Cycloheptane, 1-iodo-2-isothiocyanato-, trans-
CAS No: 88142-01-2 Catalog No: AG004GD9 MDL No:
Product Description
Catalog Number:
AG004GD9
Chemical Name:
Cycloheptane, 1-iodo-2-isothiocyanato-, trans-
CAS Number:
88142-01-2
Molecular Formula:
C8H12INS
Molecular Weight:
281.1570
IUPAC Name:
(1R,2R)-1-iodo-2-isothiocyanatocycloheptane
InChI:
InChI=1S/C8H12INS/c9-7-4-2-1-3-5-8(7)10-6-11/h7-8H,1-5H2/t7-,8-/m1/s1
InChI Key:
HTLJBGTTWXGDBE-HTQZYQBOSA-N
SMILES:
S=C=N[C@@H]1CCCCC[C@H]1I
Properties
Complexity:
166
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
280.974g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.155g/mol
Monoisotopic Mass:
280.974g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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