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88973-04-0 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-imidazo[1,2-a]pyrimidin-2-yl-
CAS No: 88973-04-0 Catalog No: AG0045BU MDL No:
Product Description
Catalog Number:
AG0045BU
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-imidazo[1,2-a]pyrimidin-2-yl-
CAS Number:
88973-04-0
Molecular Formula:
C20H25N3O
Molecular Weight:
323.4320
IUPAC Name:
2,6-ditert-butyl-4-imidazo[1,2-a]pyrimidin-2-ylphenol
InChI:
InChI=1S/C20H25N3O/c1-19(2,3)14-10-13(11-15(17(14)24)20(4,5)6)16-12-23-9-7-8-21-18(23)22-16/h7-12,24H,1-6H3
InChI Key:
NGJIWQHPLYKBIU-UHFFFAOYSA-N
SMILES:
Oc1c(cc(cc1C(C)(C)C)c1cn2c(n1)nccc2)C(C)(C)C
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
323.2g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
323.44g/mol
Monoisotopic Mass:
323.2g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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