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288844-49-5 | Phenol, 4-(1,1-dimethylethyl)-2-(1H-pyrazol-3-yl)-
CAS No: 288844-49-5 Catalog No: AG002WX8 MDL No:
Product Description
Catalog Number:
AG002WX8
Chemical Name:
Phenol, 4-(1,1-dimethylethyl)-2-(1H-pyrazol-3-yl)-
CAS Number:
288844-49-5
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
4-tert-butyl-2-(1H-pyrazol-5-yl)phenol
InChI:
InChI=1S/C13H16N2O/c1-13(2,3)9-4-5-12(16)10(8-9)11-6-7-14-15-11/h4-8,16H,1-3H3,(H,14,15)
InChI Key:
RJYXFXJVAAVCJV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1c1n[nH]cc1)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:
2
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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