Home Other Building Blocks 1-Ethyl-2-isocyanatobenzene

1-Ethyl-2-isocyanatobenzene

CAS No.:
40411-25-4
Catalog Number:
AG003H84
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG003H84
Chemical Name:
1-Ethyl-2-isocyanatobenzene
CAS Number:
40411-25-4
Molecular Formula:
C9H9NO
Molecular Weight:
147.1739
MDL Number:
MFCD00002013
IUPAC Name:
1-ethyl-2-isocyanatobenzene
InChI:
InChI=1S/C9H9NO/c1-2-8-5-3-4-6-9(8)10-7-11/h3-6H,2H2,1H3
InChI Key:
ZVFNUQWYLXXSJM-UHFFFAOYSA-N
SMILES:
O=C=Nc1ccccc1CC
Properties
Complexity:
161  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.068g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.177g/mol
Monoisotopic Mass:
147.068g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
Radical ring closures of 4-isocyanato carbon-centered radicals. The Journal of organic chemistry 20030404
Properties