Home Nitriles 4-Ethylbenzonitrile

4-Ethylbenzonitrile

CAS No.:
25309-65-3
Catalog Number:
AG003LBY
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$19
- +
5g
95%
In Stock USA
United States
$50
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$375
- +
Product Description
Catalog Number:
AG003LBY
Chemical Name:
4-Ethylbenzonitrile
CAS Number:
25309-65-3
Molecular Formula:
C9H9N
Molecular Weight:
131.1745
MDL Number:
MFCD00016383
IUPAC Name:
4-ethylbenzonitrile
InChI:
InChI=1S/C9H9N/c1-2-8-3-5-9(7-10)6-4-8/h3-6H,2H2,1H3
InChI Key:
SXFFMFAQNAFSLF-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)C#N
EC Number:
246-811-5
Properties
Complexity:
134  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
131.073g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
131.178g/mol
Monoisotopic Mass:
131.073g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties