Home Other Building Blocks Ethyl 4-isocyanatobenzoate

Ethyl 4-isocyanatobenzoate

CAS No.:
30806-83-8
Catalog Number:
AG0031CR
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$319
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Product Description
Catalog Number:
AG0031CR
Chemical Name:
Ethyl 4-isocyanatobenzoate
CAS Number:
30806-83-8
Molecular Formula:
C10H9NO3
Molecular Weight:
191.1834
MDL Number:
MFCD00002027
IUPAC Name:
ethyl 4-isocyanatobenzoate
InChI:
InChI=1S/C10H9NO3/c1-2-14-10(13)8-3-5-9(6-4-8)11-7-12/h3-6H,2H2,1H3
InChI Key:
CFEPCPHKICBCJV-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(cc1)N=C=O
EC Number:
250-344-2
Properties
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.058g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
191.186g/mol
Monoisotopic Mass:
191.058g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Heteroarotinoids with anti-cancer activity against ovarian cancer cells. The open medicinal chemistry journal 20070101
Properties