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1269293-29-9 | 1H-Pyrazole, 1-(1,1-dimethylethyl)-3-phenyl-
CAS No: 1269293-29-9 Catalog No: AG000WDG MDL No:MFCD19704857
Product Description
Catalog Number:
AG000WDG
Chemical Name:
1H-Pyrazole, 1-(1,1-dimethylethyl)-3-phenyl-
CAS Number:
1269293-29-9
Molecular Formula:
C13H16N2
Molecular Weight:
200.2795
MDL Number:
MFCD19704857
IUPAC Name:
1-tert-butyl-3-phenylpyrazole
InChI:
InChI=1S/C13H16N2/c1-13(2,3)15-10-9-12(14-15)11-7-5-4-6-8-11/h4-10H,1-3H3
InChI Key:
UECGAZMPLYGHSC-UHFFFAOYSA-N
SMILES:
CC(n1ccc(n1)c1ccccc1)(C)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.131g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
200.285g/mol
Monoisotopic Mass:
200.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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