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737000-90-7

737000-90-7 | (1R,2R)-(-)-2-Benzyloxycyclopentyl isothiocyanate

CAS No: 737000-90-7 Catalog No: AG003BG2 MDL No:

Product Description

Catalog Number:
AG003BG2
Chemical Name:
(1R,2R)-(-)-2-Benzyloxycyclopentyl isothiocyanate
CAS Number:
737000-90-7
IUPAC Name:
[(1R,2R)-2-isothiocyanatocyclopentyl]oxymethylbenzene
InChI:
InChI=1S/C13H15NOS/c16-10-14-12-7-4-8-13(12)15-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-9H2/t12-,13-/m1/s1
InChI Key:
XPXSISUCDSDZAB-CHWSQXEVSA-N

Properties

Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9  

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