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828283-34-7 | 1H-Pyrazole, 3-(1,1-dimethylethyl)-5-methyl-1-phenyl-
CAS No: 828283-34-7 Catalog No: AG004SO4 MDL No:
Product Description
Catalog Number:
AG004SO4
Chemical Name:
1H-Pyrazole, 3-(1,1-dimethylethyl)-5-methyl-1-phenyl-
CAS Number:
828283-34-7
Molecular Formula:
C14H18N2
Molecular Weight:
214.3061
IUPAC Name:
3-tert-butyl-5-methyl-1-phenylpyrazole
InChI:
InChI=1S/C14H18N2/c1-11-10-13(14(2,3)4)15-16(11)12-8-6-5-7-9-12/h5-10H,1-4H3
InChI Key:
WUMXEAYUVOFMGQ-UHFFFAOYSA-N
SMILES:
Cc1cc(nn1c1ccccc1)C(C)(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
214.147g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
214.312g/mol
Monoisotopic Mass:
214.147g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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