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737001-14-8 | (1R,2R)-(-)-2-Benzyloxycyclopentyl isocyanate
CAS No: 737001-14-8 Catalog No: AG003BG1 MDL No:
Product Description
Catalog Number:
AG003BG1
Chemical Name:
(1R,2R)-(-)-2-Benzyloxycyclopentyl isocyanate
CAS Number:
737001-14-8
IUPAC Name:
[(1R,2R)-2-isocyanatocyclopentyl]oxymethylbenzene
InChI:
InChI=1S/C13H15NO2/c15-10-14-12-7-4-8-13(12)16-9-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-9H2/t12-,13-/m1/s1
InChI Key:
OBCLNTYESQZKFV-CHWSQXEVSA-N
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
217.11g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
217.268g/mol
Monoisotopic Mass:
217.11g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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