Home Bromides 401469-73-6
401469-73-6,MFCD18410695
Catalog No.:AA003HOF
401469-73-6 | 2-(4-Bromonaphthalen-2-yl)acetonitrile
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250mg
95%
in stock  
$12.00   $8.00
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1g
95%
in stock  
$22.00   $15.00
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Technical Information
Catalog Number:
AA003HOF
Chemical Name:
2-(4-Bromonaphthalen-2-yl)acetonitrile
CAS Number:
401469-73-6
Molecular Formula:
C12H8BrN
Molecular Weight:
246.1026
MDL Number:
MFCD18410695
IUPAC Name:
2-(4-bromonaphthalen-2-yl)acetonitrile
InChI:
InChI=1S/C12H8BrN/c13-12-8-9(5-6-14)7-10-3-1-2-4-11(10)12/h1-4,7-8H,5H2
InChI Key:
SUMAJOULTIGOOM-UHFFFAOYSA-N
SMILES:
N#CCc1cc(Br)c2c(c1)cccc2
Properties
Computed Properties
 
Complexity:
242  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.984g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.107g/mol
Monoisotopic Mass:
244.984g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  

Synonyms
 
2-(4-bromonaphthalen-2-yl)acetonitrile 
401469-73-6 
KS-0000007J 
AJ-86307 
AK127745 
AX8249536 
CID5249152 
2-Naphthaleneacetonitrile, 4-bromo- 
AC1NRVZI 
DTXSID90413160 
4-Bromonaphthalene-2-acetonitrile 
MFCD18410695 
ZINC33800599 
AKOS016013687 
FCH1373461 
Literature
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