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85303-85-1 | 3-(2,3-DIMETHOXYPHENYL)-5-(2-ETHYLPHENYL)-1H-1,2,4-TRIAZOLE
CAS No: 85303-85-1 Catalog No: AG004P8T MDL No:
Product Description
Catalog Number:
AG004P8T
Chemical Name:
3-(2,3-DIMETHOXYPHENYL)-5-(2-ETHYLPHENYL)-1H-1,2,4-TRIAZOLE
CAS Number:
85303-85-1
Molecular Formula:
C18H19N3O2
Molecular Weight:
309.3624
IUPAC Name:
3-(2,3-dimethoxyphenyl)-5-(2-ethylphenyl)-1H-1,2,4-triazole
InChI:
InChI=1S/C18H19N3O2/c1-4-12-8-5-6-9-13(12)17-19-18(21-20-17)14-10-7-11-15(22-2)16(14)23-3/h5-11H,4H2,1-3H3,(H,19,20,21)
InChI Key:
VZQPCDXWNFBKBG-UHFFFAOYSA-N
SMILES:
COc1c(OC)cccc1c1n[nH]c(n1)c1ccccc1CC
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.148g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
309.369g/mol
Monoisotopic Mass:
309.148g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
60A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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