Home Bromides 118449-57-3
118449-57-3,MFCD00634314
Catalog No.:AA003I0B
118449-57-3 | 3-(4-Bromophenoxy)propanenitrile
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Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$20.00   $14.00
- +
1g
97%
in stock  
$46.00   $32.00
- +
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Technical Information
Catalog Number:
AA003I0B
Chemical Name:
3-(4-Bromophenoxy)propanenitrile
CAS Number:
118449-57-3
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD00634314
IUPAC Name:
3-(4-bromophenoxy)propanenitrile
InChI:
InChI=1S/C9H8BrNO/c10-8-2-4-9(5-3-8)12-7-1-6-11/h2-5H,1,7H2
InChI Key:
JXVPKJBXTXXLPN-UHFFFAOYSA-N
SMILES:
N#CCCOc1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
167  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.979g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.073g/mol
Monoisotopic Mass:
224.979g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3-(4-bromophenoxy)propanenitrile 
118449-57-3 
DTXSID60427274 
ZINC2566838 
ZX-AT002239 
5650AJ 
MFCD00634314 
OR0277 
SBB096909 
AKOS000192365 
BBV-086703 
FCH4617384 
Propanenitrile, 3-(4-bromophenoxy)- 
MCULE-6480828215 
PS-3130 
TRA0030187 
SY031988 
FT-0717338 
MFCD00634314 (97%) 
K-1286 
C9H8BrNO 
ZINC02566838 
CID7020697 
AK173292 
EN300-59401 
AC1ODTP4 
AC1Q250P 
SCHEMBL3237551 
CTK7D0343 
KS-00000EJX 
Literature
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