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Home Nitriles 4-Benzyloxyphenylacetonitrile

4-Benzyloxyphenylacetonitrile

CAS No.:
838-96-0
Catalog Number:
AG003KTV
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$15
- +
5g
98%
In Stock USA
United States
$38
- +
25g
98%
In Stock USA
United States
$125
- +
100g
98%
In Stock USA
United States
$388
- +
Product Description
Catalog Number:
AG003KTV
Chemical Name:
4-Benzyloxyphenylacetonitrile
CAS Number:
838-96-0
Molecular Formula:
C15H13NO
Molecular Weight:
223.2698
MDL Number:
MFCD00016400
IUPAC Name:
2-(4-phenylmethoxyphenyl)acetonitrile
InChI:
InChI=1S/C15H13NO/c16-11-10-13-6-8-15(9-7-13)17-12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChI Key:
QKEYZRVDFZDOEP-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OCc1ccccc1
Properties
Complexity:
253  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.1g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.275g/mol
Monoisotopic Mass:
223.1g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
Literature
Title Journal
2-(4-Hy-droxy-phen-yl)-3-(trimethyl-sil-yl)propanaminium chloride. Acta crystallographica. Section E, Structure reports online 20111001
Properties