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361392-21-4

361392-21-4 | (1S,2S)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE

CAS No: 361392-21-4 Catalog No: AG003BJ5 MDL No:

Product Description

Catalog Number:
AG003BJ5
Chemical Name:
(1S,2S)-2-BENZYLOXYCYCLOHEXYL ISOCYANATE
CAS Number:
361392-21-4
IUPAC Name:
[(1S,2S)-2-isocyanatocyclohexyl]oxymethylbenzene
InChI:
InChI=1S/C14H17NO2/c16-11-15-13-8-4-5-9-14(13)17-10-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-10H2/t13-,14-/m0/s1
InChI Key:
HWVZRVVQFLEXHN-KBPBESRZSA-N

Properties

Complexity:
267  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
231.126g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.295g/mol
Monoisotopic Mass:
231.126g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
38.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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