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85681-45-4 | 5-(M-METHOXYPHENYL)-3-(M-TOLYL)-S-TRIAZOLE
CAS No: 85681-45-4 Catalog No: AG004T55 MDL No:
Product Description
Catalog Number:
AG004T55
Chemical Name:
5-(M-METHOXYPHENYL)-3-(M-TOLYL)-S-TRIAZOLE
CAS Number:
85681-45-4
Molecular Formula:
C16H15N3O
Molecular Weight:
265.3098
IUPAC Name:
5-(3-methoxyphenyl)-3-(3-methylphenyl)-1H-1,2,4-triazole
InChI:
InChI=1S/C16H15N3O/c1-11-5-3-6-12(9-11)15-17-16(19-18-15)13-7-4-8-14(10-13)20-2/h3-10H,1-2H3,(H,17,18,19)
InChI Key:
KJSODSPFCYQFRG-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1[nH]nc(n1)c1cccc(c1)C
UNII:
1F7F2MDG5O
Properties
Complexity:
312
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.122g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
265.316g/mol
Monoisotopic Mass:
265.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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