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288844-45-1 | Phenol, 4-(1-methylethyl)-2-(1H-pyrazol-3-yl)-
CAS No: 288844-45-1 Catalog No: AG002WXC MDL No:
Product Description
Catalog Number:
AG002WXC
Chemical Name:
Phenol, 4-(1-methylethyl)-2-(1H-pyrazol-3-yl)-
CAS Number:
288844-45-1
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
IUPAC Name:
4-propan-2-yl-2-(1H-pyrazol-5-yl)phenol
InChI:
InChI=1S/C12H14N2O/c1-8(2)9-3-4-12(15)10(7-9)11-5-6-13-14-11/h3-8,15H,1-2H3,(H,13,14)
InChI Key:
JXIUNXJQIOGCAV-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1c1n[nH]cc1)C(C)C
Properties
Complexity:
208
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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