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304869-97-4 | 3,5'-Bi-1H-pyrazole, 3',5-bis(1,1-dimethylethyl)- (9CI)
CAS No: 304869-97-4 Catalog No: AG0030BU MDL No:
Product Description
Catalog Number:
AG0030BU
Chemical Name:
3,5'-Bi-1H-pyrazole, 3',5-bis(1,1-dimethylethyl)- (9CI)
CAS Number:
304869-97-4
Molecular Formula:
C14H22N4
Molecular Weight:
246.3513
IUPAC Name:
5-tert-butyl-3-(5-tert-butyl-1H-pyrazol-3-yl)-1H-pyrazole
InChI:
InChI=1S/C14H22N4/c1-13(2,3)11-7-9(15-17-11)10-8-12(18-16-10)14(4,5)6/h7-8H,1-6H3,(H,15,17)(H,16,18)
InChI Key:
WLQYNNUYUHUWEJ-UHFFFAOYSA-N
SMILES:
CC(c1[nH]nc(c1)c1[nH]nc(c1)C(C)(C)C)(C)C
NSC Number:
689825
Properties
Complexity:
259
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.184g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.358g/mol
Monoisotopic Mass:
246.184g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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