sales@angenesci.com
Login | Register
logo
Structures Search
Home Other Building Blocks Benzoyl isocyanate

Benzoyl isocyanate

CAS No.:
4461-33-0
Catalog Number:
AG0037UM
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0037UM
Chemical Name:
Benzoyl isocyanate
CAS Number:
4461-33-0
Molecular Formula:
C8H5NO2
Molecular Weight:
147.1308
MDL Number:
MFCD00002032
IUPAC Name:
benzoyl isocyanate
InChI:
InChI=1S/C8H5NO2/c10-6-9-8(11)7-4-2-1-3-5-7/h1-5H
InChI Key:
LURYMYITPCOQAU-UHFFFAOYSA-N
SMILES:
O=C=NC(=O)c1ccccc1
EC Number:
224-717-5
NSC Number:
246191
Properties
Complexity:
188  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
147.032g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
147.133g/mol
Monoisotopic Mass:
147.032g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Literature
Title Journal
Theoretical study on the reaction mechanism between 6-benzyl-6-azabicyclo[2.2.1]hept-2-ene and benzoyl isocyanate to urea and isourea. The journal of physical chemistry. A 20100304
1,3,4-Oxadiazole-3(2H)-carboxamide derivatives as potential novel class of monoamine oxidase (MAO) inhibitors: synthesis, evaluation, and role of urea moiety. Bioorganic & medicinal chemistry 20080815
Carboxyketenes from 4-hydroxy-1,3-oxazin-6-ones and Meldrum's acid derivatives. The Journal of organic chemistry 20070216
Solid-phase synthesis of complex oligosaccharides using a novel capping reagent. The Journal of organic chemistry 20040319
Properties