Home Other Building Blocks (2-isocyanatocyclopropyl)benzene

(2-isocyanatocyclopropyl)benzene

CAS No.:
63006-15-5
Catalog Number:
AG01AJLK
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
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Product Description
Catalog Number:
AG01AJLK
Chemical Name:
(2-isocyanatocyclopropyl)benzene
CAS Number:
63006-15-5
Molecular Formula:
C10H9NO
Molecular Weight:
159.1846
MDL Number:
MFCD16300991
IUPAC Name:
(2-isocyanatocyclopropyl)benzene
InChI:
InChI=1S/C10H9NO/c12-7-11-10-6-9(10)8-4-2-1-3-5-8/h1-5,9-10H,6H2
InChI Key:
DYUXVJAFBUZREW-UHFFFAOYSA-N
SMILES:
O=C=NC1CC1c1ccccc1
Properties
Complexity:
202  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.068g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
159.188g/mol
Monoisotopic Mass:
159.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
An exploratory study of ring closures of aryl radicals onto cyclopropyl- and oxiranyl-isocyanate acceptors. Organic & biomolecular chemistry 20040907
Properties