Home Bromides 52805-45-5
52805-45-5,MFCD01123027
Catalog No.:AA003IZ4
52805-45-5 | 3-Bromo-4-hydroxy-5-methoxybenzonitrile
Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$68.00   $47.00
- +
5g
95%
in stock  
$160.00   $112.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IZ4
Chemical Name:
3-Bromo-4-hydroxy-5-methoxybenzonitrile
CAS Number:
52805-45-5
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD01123027
IUPAC Name:
3-bromo-4-hydroxy-5-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO2/c1-12-7-3-5(4-10)2-6(9)8(7)11/h2-3,11H,1H3
InChI Key:
FHXLXRNDUJYBEQ-UHFFFAOYSA-N
SMILES:
COc1cc(C#N)cc(c1O)Br
Properties
Computed Properties
 
Complexity:
201  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.958g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.045g/mol
Monoisotopic Mass:
226.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
3-bromo-4-hydroxy-5-methoxybenzonitrile 
52805-45-5 
FHXLXRNDUJYBEQ-UHFFFAOYSA-N 
ALBB-008944 
ZINC2573235 
ZX-AN007839 
4991AE 
BBL037390 
MFCD13193764 
SBB019879 
STK348814 
AKOS000271024 
3-Bromo-4-Hydroxy-5-Methoxy-Benzonitrile 
FCH5236616 
MCULE-6738390482 
ACM52805455 
BBV-2064573 
KS-000017P9 
OR345104 
ST083046 
DB-071587 
TR-018708 
FT-0679449 
3-bromo-4-hydroxy-5-methoxybenzenecarbonitrile 
3-Bromo-4-hydroxy-5-methoxybenzonitrile, 97% 
A-7496 
A18847 
EN300-110905 
I01-12629 
F2147-1808 
C8H6BrNO2 
ZINC02573235 
CID7021625 
B4757 
ACMC-1ATRH 
AC1ODVR1 
AC1Q47HK 
SCHEMBL8440705 
CTK1G8799 
DTXSID40427393 
Literature
Quotation Request
Company Name:
*
Contact Person:
*
Email:
*
Quantity Required:
*
Additional Info:
Q & A