Home Bromides 772-59-8
772-59-8,MFCD00016391
Catalog No.:AA003IZG
772-59-8 | 2-(3-Bromo-4-methoxyphenyl)acetonitrile
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5g
>98.0%(GC)
1 week  
$133.00   $93.00
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25g
>98.0%(GC)
1 week  
$415.00   $290.00
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IZG
Chemical Name:
2-(3-Bromo-4-methoxyphenyl)acetonitrile
CAS Number:
772-59-8
Molecular Formula:
C9H8BrNO
Molecular Weight:
226.0699
MDL Number:
MFCD00016391
IUPAC Name:
2-(3-bromo-4-methoxyphenyl)acetonitrile
InChI:
InChI=1S/C9H8BrNO/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6H,4H2,1H3
InChI Key:
OBJKHHRZMIIEOK-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(c(c1)Br)OC
Properties
Computed Properties
 
Complexity:
186  
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:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3-Bromo-4-methoxyphenylacetonitrile 
772-59-8 
ACMC-209p8t 
AC1Q44LV 
SCHEMBL150589 
CTK3J5090 
DTXSID90335030 
ZINC2565991 
ZX-AT005646 
9540AE 
ANW-36987 
OR3047 
2-(3-bromo-4-methoxyphenyl)acetonitrile 
SBB058927 
AKOS009156590 
Benzeneacetonitrile,3-bromo-4-methoxy- 
FCH5086020 
FS-1521 
MCULE-9870858892 
RTR-024694 
VZ26448 
(3-Bromo-4-methoxy-phenyl)-acetonitrile 
BBV-32811477 
3-Bromo-4-methoxybenzyl Cyanide 
CC-14447 
TR-024694 
CS-0063831 
FT-0604697 
ST50408766 
2-(3-bromanyl-4-methoxy-phenyl)ethanenitrile 
(3-Bromo-4-methoxyphenyl)acetonitrile AldrichCPR 
(3-Bromo-4-methoxyphenyl)acetonitrile, AldrichCPR 
A839019 
C-12827 
OBJKHHRZMIIEOK-UHFFFAOYSA-N 
I14-25972 
C9H8BrNO 
CID522655 
ZINC02565991 
B1455 
MFCD00016391 
Benzeneacetonitrile, 3-bromo-4-methoxy- 
2-(3-bromo-4-methoxyphenyl)ethanenitrile 
AC1LAX7K 
AC1Q4CDR 
Literature

Title: Two new bromotyrosine-derived metabolites from the sponge Psammaplysilla purpurea.

Journal: Chemical & pharmaceutical bulletin 20030801

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