Home Halogens 4-bromo-2-(1H-pyrazol-3-yl)phenol

4-bromo-2-(1H-pyrazol-3-yl)phenol

CAS No.:
99067-15-9
Catalog Number:
AG003KV5
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
>98.0%(GC)(T)
1 week
United States
$71
- +
Product Description
Catalog Number:
AG003KV5
Chemical Name:
4-bromo-2-(1H-pyrazol-3-yl)phenol
CAS Number:
99067-15-9
Molecular Formula:
C9H7BrN2O
Molecular Weight:
239.0687
MDL Number:
MFCD03094026
IUPAC Name:
4-bromo-2-(1H-pyrazol-5-yl)phenol
InChI:
InChI=1S/C9H7BrN2O/c10-6-1-2-9(13)7(5-6)8-3-4-11-12-8/h1-5,13H,(H,11,12)
InChI Key:
PNIKRSVKWZRJOK-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)c1cc[nH]n1)O
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.974g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
239.072g/mol
Monoisotopic Mass:
237.974g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties