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94109-79-2

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Basic Information
CAS No.: 94109-79-2
Name: 2-(2H-Benzotriazol-2-yl)-4,6-bis(tert-pentyl)phenol N-oxide
Article Data: 7
Molecular Structure:
Molecular Structure of 94109-79-2 (2-(2H-Benzotriazol-2-yl)-4,6-bis(tert-pentyl)phenol N-oxide)
Formula: C22H29 N3 O2
Molecular Weight: 367.491
Synonyms: Phenol,2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)-, N-oxide;2-(2'-Hydroxy-3',5'-di-tert-amylphenyl)benzotriazole N-oxide
EINECS: 302-519-0
PSA: 63.51000
LogP: 5.53480
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Chemistry

Molecular Structure of 2-(2H-Benzotriazol-2-yl)-4,6-bis(tert-pentyl)phenol N-oxide (CAS NO.94109-79-2):

IUPAC Name: 2,4-Bis(2-methylbutan-2-yl)-6-(1-oxidobenzotriazol-1-ium-2-yl)phenol 
Molecular Formula: C22H29N3O2
Molecular Weight: 367.48
EINECS: 302-519-0 
XLogP3-AA: 7.6
H-Bond Donor: 1
H-Bond Acceptor: 3
Rotatable Bond Count: 5
Tautomer Count: 3
Exact Mass: 367.225977
MonoIsotopic Mass: 367.225977
Topological Polar Surface Area: 63.5
Heavy Atom Count: 27
Complexity: 510
Canonical SMILES: CCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=[N+]2[O-])O)C(C)(C)CC
InChI: InChI=1S/C22H29N3O2/c1-7-21(3,4)15-13-16(22(5,6)8-2)20(26)19(14-15)24-23-17-11-9-10-12-18(17)25(24)27/h9-14,26H,7-8H2,1-6H3
InChIKey: CAQZTIVTTPHTON-UHFFFAOYSA-N

Specification

 2-(2H-Benzotriazol-2-yl)-4,6-bis(tert-pentyl)phenol N-oxide (CAS NO.94109-79-2), its Synonyms are Phenol,2,4-bis(1,1-dimethylpropyl)-6-(1-oxido-2H-benzotriazol-2-yl)- ; Phenol,2-(2H-benzotriazol-2-yl)-4,6-bis(1,1-dimethylpropyl)-, N-oxide ; 2-(2'-Hydroxy-3',5'-di-tert-amylphenyl)benzotriazole N-oxide .