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101096-72-4,MFCD00060310
Catalog No.:AA0003NV
101096-72-4 | 2-(4-Benzylphenyl)acetonitrile
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Technical Information
Catalog Number:
AA0003NV
Chemical Name:
2-(4-Benzylphenyl)acetonitrile
CAS Number:
101096-72-4
Molecular Formula:
C15H13N
Molecular Weight:
207.2704
MDL Number:
MFCD00060310
IUPAC Name:
2-(4-benzylphenyl)acetonitrile
InChI:
InChI=1S/C15H13N/c16-11-10-13-6-8-15(9-7-13)12-14-4-2-1-3-5-14/h1-9H,10,12H2
InChI Key:
RNZDBGKQDKFAPR-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.105g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.276g/mol
Monoisotopic Mass:
207.105g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
4-Benzylphenylacetonitrile 
101096-72-4 
SCHEMBL625190 
AC1Q4S12 
2-[4-benzylphenyl]ethanenitrile 
CTK3J3400 
DTXSID20344514 
ZINC2528067 
ZX-AT011475 
7312AC 
AKOS015839222 
MCULE-6328551617 
2-(4-benzylphenyl)acetonitrile 
RTR-000326 
VZ28392 
CC-18081 
SC-54234 
TR-000326 
FT-0617673 
ST50408441 
C-10469 
I14-26953 
F0001-0058 
RNZDBGKQDKFAPR-UHFFFAOYSA-N 
C15H13N 
CID597531 
ZINC02528067 
MFCD00060310 
ACMC-20amog 
4-Benzylbenzyl cyanide 
AC1LCAC9 
(4-benzylphenyl)acetonitrile 
4-benzyl-l-cyanomethylbenzene 
Literature
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