Home Other Building Blocks 4-(1H-pyrazol-4-yl)phenol

4-(1H-pyrazol-4-yl)phenol

CAS No.:
191980-64-0
Catalog Number:
AG01B9UN
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
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Product Description
Catalog Number:
AG01B9UN
Chemical Name:
4-(1H-pyrazol-4-yl)phenol
CAS Number:
191980-64-0
Molecular Formula:
C9H8N2O
Molecular Weight:
160.1726
MDL Number:
MFCD11932601
IUPAC Name:
4-(1H-pyrazol-4-yl)phenol
InChI:
InChI=1S/C9H8N2O/c12-9-3-1-7(2-4-9)8-5-10-11-6-8/h1-6,12H,(H,10,11)
InChI Key:
PKRONVFNRZHWSM-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1c[nH]nc1
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
160.064g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
160.176g/mol
Monoisotopic Mass:
160.064g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties