Home Other Building Blocks Ethanone, 1-(3-isocyanatophenyl)-

Ethanone, 1-(3-isocyanatophenyl)-

CAS No.:
23138-64-9
Catalog Number:
AG002MB3
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
In Stock USA
United States
$226
- +
5g
97%
In Stock USA
United States
$497
- +
Product Description
Catalog Number:
AG002MB3
Chemical Name:
Ethanone, 1-(3-isocyanatophenyl)-
CAS Number:
23138-64-9
Molecular Formula:
C9H7NO2
Molecular Weight:
161.1574
MDL Number:
MFCD00013866
IUPAC Name:
1-(3-isocyanatophenyl)ethanone
InChI:
InChI=1S/C9H7NO2/c1-7(12)8-3-2-4-9(5-8)10-6-11/h2-5H,1H3
InChI Key:
JASTZOAHAWBRLM-UHFFFAOYSA-N
SMILES:
O=C=Nc1cccc(c1)C(=O)C
NSC Number:
223087
Properties
Complexity:
219  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.048g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.16g/mol
Monoisotopic Mass:
161.048g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties