Home Bromides 514856-13-4
514856-13-4,MFCD02256587
Catalog No.:AA003IYF
514856-13-4 | 3-Bromo-4,5-diethoxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
95%
3 weeks  
$400.00   $280.00
- +
100mg
95%
3 weeks  
$417.00   $292.00
- +
250mg
95%
3 weeks  
$470.00   $329.00
- +
500mg
95%
3 weeks  
$636.00   $445.00
- +
1g
95%
3 weeks  
$793.00   $555.00
- +
  • Technical Information
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Technical Information
Catalog Number:
AA003IYF
Chemical Name:
3-Bromo-4,5-diethoxybenzonitrile
CAS Number:
514856-13-4
Molecular Formula:
C11H12BrNO2
Molecular Weight:
270.1225
MDL Number:
MFCD02256587
IUPAC Name:
3-bromo-4,5-diethoxybenzonitrile
InChI:
InChI=1S/C11H12BrNO2/c1-3-14-10-6-8(7-13)5-9(12)11(10)15-4-2/h5-6H,3-4H2,1-2H3
InChI Key:
DPLJNTWBXCKJOL-UHFFFAOYSA-N
SMILES:
CCOc1cc(C#N)cc(c1OCC)Br
Properties
Computed Properties
 
Complexity:
238  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.005g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
270.126g/mol
Monoisotopic Mass:
269.005g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
3-bromo-4,5-diethoxybenzonitrile 
514856-13-4 
MFCD02256587 
SBB029268 
STK437201 
AKOS000305206 
MCULE-6443010935 
NE60783 
ACM514856134 
RT-008600 
ST50408718 
EN300-110493 
3-bromo-4,5-diethoxy-benzonitrile 
Z57756803 
I14-100192 
CID4122990 
3-bromo-4,5-diethoxybenzenecarbonitrile 
ACMC-20an8z 
AC1N44DX 
AC1Q35WS 
CTK4J4337 
DTXSID00399567 
ZINC5953431 
Literature
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