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305860-86-0 | 1-{[3-(4-Methylphenyl)-1,2-oxazol-5-yl]methyl}-1H-1,2,3-benzotriazole
CAS No: 305860-86-0 Catalog No: AG01EUTE MDL No:
Product Description
Catalog Number:
AG01EUTE
Chemical Name:
1-{[3-(4-Methylphenyl)-1,2-oxazol-5-yl]methyl}-1H-1,2,3-benzotriazole
CAS Number:
305860-86-0
Molecular Formula:
C17H14N4O
Molecular Weight:
290.3193
IUPAC Name:
5-(benzotriazol-1-ylmethyl)-3-(4-methylphenyl)-1,2-oxazole
InChI:
InChI=1S/C17H14N4O/c1-12-6-8-13(9-7-12)16-10-14(22-19-16)11-21-17-5-3-2-4-15(17)18-20-21/h2-10H,11H2,1H3
InChI Key:
ZPCRACBSTKYSSS-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1noc(c1)Cn1nnc2c1cccc2
Properties
Complexity:
372
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.117g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
290.326g/mol
Monoisotopic Mass:
290.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
56.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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