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30653-05-5 | Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-methyl-
CAS No: 30653-05-5 Catalog No: AG0030RE MDL No:
Product Description
Catalog Number:
AG0030RE
Chemical Name:
Phenol, 2,2'-methylenebis[6-(2H-benzotriazol-2-yl)-4-methyl-
CAS Number:
30653-05-5
Molecular Formula:
C27H22N6O2
Molecular Weight:
462.5026
IUPAC Name:
2-(benzotriazol-2-yl)-6-[[3-(benzotriazol-2-yl)-2-hydroxy-5-methylphenyl]methyl]-4-methylphenol
InChI:
InChI=1S/C27H22N6O2/c1-16-11-18(26(34)24(13-16)32-28-20-7-3-4-8-21(20)29-32)15-19-12-17(2)14-25(27(19)35)33-30-22-9-5-6-10-23(22)31-33/h3-14,34-35H,15H2,1-2H3
InChI Key:
ZDXCWZKQDWCCMJ-UHFFFAOYSA-N
SMILES:
Cc1cc(Cc2cc(C)cc(c2O)n2nc3c(n2)cccc3)c(c(c1)n1nc2c(n1)cccc2)O
Properties
Complexity:
642
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.18g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
462.513g/mol
Monoisotopic Mass:
462.18g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.7
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