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114772-53-1,MFCD00151805
Catalog No.:AA000F46

114772-53-1 | 2-(4-Methylphenyl)benzonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10g
98%
in stock  
$6.00   $4.00
- +
25g
98%
in stock  
$7.00   $5.00
- +
100g
98%
in stock  
$17.00   $12.00
- +
500g
98%
in stock  
$67.00   $47.00
- +
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  • Technical Information
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Technical Information
Catalog Number:
AA000F46
Chemical Name:
2-(4-Methylphenyl)benzonitrile
CAS Number:
114772-53-1
Molecular Formula:
C14H11N
Molecular Weight:
193.2438
MDL Number:
MFCD00151805
SMILES:
N#Cc1ccccc1c1ccc(cc1)C
Properties
Computed Properties
 
Complexity:
241  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
3.8  

Literature

Title: Vibrational spectroscopic, molecular structure, first hyperpolarizability and NBO studies of 4'-methylbiphenyl-2-carbonitrile.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20121201

Title: Molecular structure, spectroscopic (FT-IR, FT-Raman, 13C and 1H NMR, UV), polarizability and first-order hyperpolarizability, HOMO and LUMO analysis of 4'-methylbiphenyl-2-carbonitrile.

Journal: Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20120215

Title: 2-(4-Methyl-phen-yl)benzonitrile.

Journal: Acta crystallographica. Section E, Structure reports online 20110701

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