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Home Nitriles 2-Methoxybenzonitrile

2-Methoxybenzonitrile

CAS No.:
6609-56-9
Catalog Number:
AG003HJT
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
98%
In Stock USA
United States
$30
- +
100g
98%
In Stock USA
United States
$88
- +
500g
98%
In Stock USA
United States
$400
- +
Product Description
Catalog Number:
AG003HJT
Chemical Name:
2-Methoxybenzonitrile
CAS Number:
6609-56-9
Molecular Formula:
C8H7NO
Molecular Weight:
133.1473
MDL Number:
MFCD13182120
IUPAC Name:
2-methoxybenzonitrile
InChI:
InChI=1S/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H3
InChI Key:
FSTPMFASNVISBU-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1OC
EC Number:
229-559-0
Properties
Complexity:
147  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
133.053g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
133.15g/mol
Monoisotopic Mass:
133.053g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Chemoselectivity diversity in the reaction of LiNC6F5SiMe3 with nitriles and the synthesis, structure, and reactivity of zirconium mono- and tris[2-(2-pyridyl)tetrafluorobenzimidazolate] complexes. Inorganic chemistry 20101018
Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201
Properties