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6609-56-9,MFCD13182120
Catalog No.:AA003HH1
6609-56-9 | 2-Methoxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
97+%
in stock  
$8.00
- +
10g
97+%
in stock  
$13.00
- +
25g
98%
in stock  
$24.00
- +
100g
98%
in stock  
$70.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HH1
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
Computed 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  

Synonyms
 
2-methoxybenzonitrile 
o-methoxybenzonitrile 
2-methoxybenzenecarbonitrile 
2-Methoxybenzonitrile, 99% 
FSTPMFASNVISBU-UHFFFAOYSA-N 
MFCD00001783 
methoxybenzonitrile 
EINECS 229-559-0 
2-Methxybenzonitrile 
o-methyoxybenzonitrile 
PubChem4812 
O-ANISOLNITRILE 
ortho-methoxybenzonitrile 
ACMC-209ntj 
1-cyano-2-methoxybenzene 
2-(methyloxy)benzonitrile 
AC1L30KU 
AC1Q44YM 
KSC498A3H 
SCHEMBL104280 
CTK3J8033 
DTXSID10216291 
ZINC407057 
2-Methoxybenzonitrile 
ACT07824 
KS-00000EE9 
STR04854 
ANW-35141 
SBB063016 
STL354588 
AKOS000198220 
AB00156 
CS-W007580 
MCULE-1288292650 
6609-56-9 
RP20055 
RTR-022399 
TF10214 
TRA0051110 
VZ24867 
AC-26137 
AJ-22584 
AK-44736 
BR-44736 
K078 
2-Cyanoanisole 
SC-06143 
ZB013774 
AB0014015 
DB-021291 
ST2410090 
TR-022399 
AM20050167 
FT-0084999 
FT-0612823 
FT-0695945 
o-Methoxybenzonitrile 
M1280 
I01-0085 
J-509853 
F0001-1762 
InChI=1/C8H7NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,1H 
89596-85-0 
C8H7NO 
(2-Methoxyphenyl)acetonitrile 
C8-H7-N-O 
CID81086 
2-methoxy-benzonitrile 
ACN-050414 
2-Methoxybenzonitrile, 99% - 5G 5g 
M-5510 
20771-60-2 
Benzonitrile, 2-methoxy- 
O-ANISONITRILE 
Literature

Title: 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.

Journal: Inorganic chemistry 20101018

Title: Theoretical surface-enhanced Raman spectra study of substituted benzenes II. Density functional theoretical SERS modelling of o-, m-, and p-methoxybenzonitrile.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20081201

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