Home Other Building Blocks 4-tert-butyl-2-(1H-pyrazol-1-yl)phenol

4-tert-butyl-2-(1H-pyrazol-1-yl)phenol

CAS No.:
1465904-35-1
Catalog Number:
AG01B2A4
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
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Product Description
Catalog Number:
AG01B2A4
Chemical Name:
4-tert-butyl-2-(1H-pyrazol-1-yl)phenol
CAS Number:
1465904-35-1
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
MDL Number:
MFCD24724707
IUPAC Name:
4-tert-butyl-2-pyrazol-1-ylphenol
InChI:
InChI=1S/C13H16N2O/c1-13(2,3)10-5-6-12(16)11(9-10)15-8-4-7-14-15/h4-9,16H,1-3H3
InChI Key:
NAPDHZKXJUVIQQ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1n1cccn1)C(C)(C)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties