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84292-46-6 | Phenol, 4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)-
CAS No: 84292-46-6 Catalog No: AG004TIC MDL No:
Product Description
Catalog Number:
AG004TIC
Chemical Name:
Phenol, 4-(5-methyl-4-phenyl-1H-1,2,3-triazol-1-yl)-
CAS Number:
84292-46-6
Molecular Formula:
C15H13N3O
Molecular Weight:
251.2832
IUPAC Name:
4-(5-methyl-4-phenyltriazol-1-yl)phenol
InChI:
InChI=1S/C15H13N3O/c1-11-15(12-5-3-2-4-6-12)16-17-18(11)13-7-9-14(19)10-8-13/h2-10,19H,1H3
InChI Key:
FBNCSVYGEFPMND-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)n1nnc(c1C)c1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.106g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
251.289g/mol
Monoisotopic Mass:
251.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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