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124883-10-9 | Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-ethenyl-
CAS No: 124883-10-9 Catalog No: AG000MUK MDL No:
Product Description
Catalog Number:
AG000MUK
Chemical Name:
Phenol, 2-(5-chloro-2H-benzotriazol-2-yl)-6-(1,1-dimethylethyl)-4-ethenyl-
CAS Number:
124883-10-9
Molecular Formula:
C18H18ClN3O
Molecular Weight:
327.8080
IUPAC Name:
2-tert-butyl-6-(5-chlorobenzotriazol-2-yl)-4-ethenylphenol
InChI:
InChI=1S/C18H18ClN3O/c1-5-11-8-13(18(2,3)4)17(23)16(9-11)22-20-14-7-6-12(19)10-15(14)21-22/h5-10,23H,1H2,2-4H3
InChI Key:
UNWOQCDCGCSPSN-UHFFFAOYSA-N
SMILES:
C=Cc1cc(n2nc3c(n2)ccc(c3)Cl)c(c(c1)C(C)(C)C)O
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.114g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
327.812g/mol
Monoisotopic Mass:
327.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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