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CAT: 1596-AR-U01433-02Size: 25 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-U01433-02Size:25 Units
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
36437-37-3
Molecular Formula
C20H25N3O
Molecular Weight
323.44
API Name
Uv absorbers

Chemical Information

4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CAS Number36437-37-3
PubChem CID118327
IUPAC Name2-(benzotriazol-2-yl)-6-butan-2-yl-4-tert-butylphenol
Molecular FormulaC20H25N3O
Molecular Weight323.4
XLogP6.3
Topological Polar Surface Area50.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity408
SMILES
CCC(C)C1=C(C(=CC(=C1)C(C)(C)C)N2N=C3C=CC=CC3=N2)O
InChI
InChI=1S/C20H25N3O/c1-6-13(2)15-11-14(20(3,4)5)12-18(19(15)24)23-21-16-9-7-8-10-17(16)22-23/h7-13,24H,6H2,1-5H3
InChIKey
RTNVDKBRTXEWQE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-tert-Butyl-6-sec-butyl-2-(2H-benzotriazol-2-yl)phenol
CAS: 36437-37-3
CID: 118327
Formula: C20H25N3O
MW: 323.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight323.4
XLogP36.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass323.199762429
Monoisotopic Mass323.199762429
Topological Polar Surface Area50.9 Ų
Heavy Atom Count24
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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