Home Nitriles 3-Bromo-4-hydroxy-5-methoxybenzonitrile

3-Bromo-4-hydroxy-5-methoxybenzonitrile

CAS No.:
52805-45-5
Catalog Number:
AG003J1W
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$59
- +
5g
95%
In Stock USA
United States
$140
- +
25g
95%
In Stock USA
United States
$642
- +
Product Description
Catalog Number:
AG003J1W
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
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  
Properties