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114772-80-4 | 1H-1,2,3-Triazole, 5-(4'-methyl[1,1'-biphenyl]-2-yl)-
CAS No: 114772-80-4 Catalog No: AG000F6U MDL No:
Product Description
Catalog Number:
AG000F6U
Chemical Name:
1H-1,2,3-Triazole, 5-(4'-methyl[1,1'-biphenyl]-2-yl)-
CAS Number:
114772-80-4
Molecular Formula:
C15H13N3
Molecular Weight:
235.2838
IUPAC Name:
4-[2-(4-methylphenyl)phenyl]-2H-triazole
InChI:
InChI=1S/C15H13N3/c1-11-6-8-12(9-7-11)13-4-2-3-5-14(13)15-10-16-18-17-15/h2-10H,1H3,(H,16,17,18)
InChI Key:
ACKDPCGYJPVFKO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1ccccc1c1[nH]nnc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.111g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.29g/mol
Monoisotopic Mass:
235.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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