Home Nitriles 5-Bromo-2-hydroxy-4-methoxybenzonitrile

5-Bromo-2-hydroxy-4-methoxybenzonitrile

CAS No.:
1379779-22-2
Catalog Number:
AG0017RL
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$305
- +
1g
95%
1 week
United States
$705
- +
Product Description
Catalog Number:
AG0017RL
Chemical Name:
5-Bromo-2-hydroxy-4-methoxybenzonitrile
CAS Number:
1379779-22-2
Molecular Formula:
C8H6BrNO2
Molecular Weight:
228.0427
MDL Number:
MFCD22574026
IUPAC Name:
5-bromo-2-hydroxy-4-methoxybenzonitrile
InChI:
InChI=1S/C8H6BrNO2/c1-12-8-3-7(11)5(4-10)2-6(8)9/h2-3,11H,1H3
InChI Key:
UCBVLFPUDKPKAC-UHFFFAOYSA-N
SMILES:
COc1cc(O)c(cc1Br)C#N
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:
2.5  
Properties