Home Bromides 867366-91-4
867366-91-4,MFCD08061971
Catalog No.:AA003J08
867366-91-4 | 3-Bromo-5-methoxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$15.00   $10.00
- +
5g
98%
in stock  
$43.00   $30.00
- +
25g
98%
in stock  
$172.00   $120.00
- +
100g
98%
in stock  
$667.00   $467.00
- +
  • Technical Information
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  • Technical Information
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Technical Information
Catalog Number:
AA003J08
Chemical Name:
3-Bromo-5-methoxybenzonitrile
CAS Number:
867366-91-4
Molecular Formula:
C8H6BrNO
Molecular Weight:
212.0433
MDL Number:
MFCD08061971
IUPAC Name:
3-bromo-5-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,1H3
InChI Key:
NNWRYZGZCCTKQW-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1)Br
Properties
Computed Properties
 
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.963g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.046g/mol
Monoisotopic Mass:
210.963g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

Synonyms
 
3-Bromo-5-methoxybenzonitrile 
867366-91-4 
KS-00000EJU 
Benzonitrile,3-bromo-5-methoxy- 
DTXSID60648644 
NNWRYZGZCCTKQW-UHFFFAOYSA-N 
ACT00925 
ZX-AT003571 
ANW-51478 
CL8900 
MFCD08061971 
ZINC21304570 
3-Bromo-5-methoxy benzonitrile 
AKOS015834329 
AS05805 
CM12981 
CS-W021871 
FCH1326882 
FS-3073 
OR17817 
RP26645 
TRA0044638 
AC-26115 
3-Bromo-5-cyanoanisole 
AJ-78552 
BBV-40202721 
BC002819 
BR-36618 
CJ-16955 
SC-07049 
SY026404 
AB0027114 
AX8085210 
DB-076738 
Benzonitrile, 3-bromo-5-methoxy- 
ST2410548 
TR-027011 
FT-0692085 
TL80074159 
W8908 
A21028 
S-3180 
MFCD08061971 (95+%) 
J-512027 
C8H6BrNO 
3-Bromo-5-methoxy-benzonitrile 
3-bromo-5-methoxy benzotrile 
ACN-052371 
1-BROMO-3-METHOXY-5-METHYLBENZENE 
AK-36618 
PubChem4720 
SCHEMBL504659 
CTK5F7160 
Literature
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