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88408-53-1 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1,4-dimethyl-1H-pyrazol-3-yl)-
CAS No: 88408-53-1 Catalog No: AG004F37 MDL No:
Product Description
Catalog Number:
AG004F37
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-(1,4-dimethyl-1H-pyrazol-3-yl)-
CAS Number:
88408-53-1
Molecular Formula:
C19H28N2O
Molecular Weight:
300.4384
IUPAC Name:
2,6-ditert-butyl-4-(1,4-dimethylpyrazol-3-yl)phenol
InChI:
InChI=1S/C19H28N2O/c1-12-11-21(8)20-16(12)13-9-14(18(2,3)4)17(22)15(10-13)19(5,6)7/h9-11,22H,1-8H3
InChI Key:
IKFJCLJQMWBCKV-UHFFFAOYSA-N
SMILES:
Cn1cc(c(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.22g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
300.446g/mol
Monoisotopic Mass:
300.22g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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