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25562-98-5,MFCD00016386
Catalog No.:AA003HRT
25562-98-5 | 2-Phenoxyphenylacetonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
96%
in stock  
$52.00   $36.00
- +
5g
96%
in stock  
$143.00   $100.00
- +
10g
96%
in stock  
$258.00   $180.00
- +
  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003HRT
Chemical Name:
2-Phenoxyphenylacetonitrile
CAS Number:
25562-98-5
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD00016386
IUPAC Name:
2-(2-phenoxyphenyl)acetonitrile
InChI:
InChI=1S/C14H11NO/c15-11-10-12-6-4-5-9-14(12)16-13-7-2-1-3-8-13/h1-9H,10H2
InChI Key:
PCMQCXFXODBYGN-UHFFFAOYSA-N
SMILES:
N#CCc1ccccc1Oc1ccccc1
Properties
Computed Properties
 
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

Synonyms
 
2-Phenoxyphenylacetonitrile 
2-(2-phenoxyphenyl)acetonitrile 
AC1Q4S0T 
(2-phenoxyphenyl)acetonitrile 
2-(Cyanomethyl)diphenyl ether 
SCHEMBL4824572 
CTK4F6048 
2-(2-phenoxyphenyl)ethanenitrile 
DTXSID60180256 
ZINC160379 
ZX-AT020399 
8489AD 
25562-98-5 
AKOS015855117 
MCULE-2479947940 
OR24675 
ACM25562985 
AJ-15588 
AM807441 
AS-31107 
ZB007362 
AX8032897 
DB-021483 
2-Phenoxybenzyl cyanide 
TR-011652 
FT-0082209 
FT-0602084 
ST50408066 
C-5359 
C-52737 
I14-30589 
C14H11NO 
CID141221 
ZINC00160379 
Benzeneacetonitrile,2-phenoxy- 
PCMQCXFXODBYGN-UHFFFAOYSA-N 
MFCD00016386 
ACMC-1CFBF 
phenoxybenzeneacetonitrile 
AC1L3ILW 
Literature
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