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150050-03-6 | 1H-Pyrazole, 3-(2,4,6-trimethylphenyl)-
CAS No: 150050-03-6 Catalog No: AG001M9M MDL No:
Product Description
Catalog Number:
AG001M9M
Chemical Name:
1H-Pyrazole, 3-(2,4,6-trimethylphenyl)-
CAS Number:
150050-03-6
Molecular Formula:
C12H14N2
Molecular Weight:
186.2530
IUPAC Name:
5-(2,4,6-trimethylphenyl)-1H-pyrazole
InChI:
InChI=1S/C12H14N2/c1-8-6-9(2)12(10(3)7-8)11-4-5-13-14-11/h4-7H,1-3H3,(H,13,14)
InChI Key:
UCZMYYFCKIVTMP-UHFFFAOYSA-N
SMILES:
Cc1cc(C)c(c(c1)C)c1n[nH]cc1
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
186.258g/mol
Monoisotopic Mass:
186.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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