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1094483-64-3 | 5-(2-iodophenyl)-3-methyl-1H-1,2,4-triazole
CAS No: 1094483-64-3 Catalog No: AG019XJA MDL No:MFCD11215066
Product Description
Catalog Number:
AG019XJA
Chemical Name:
5-(2-iodophenyl)-3-methyl-1H-1,2,4-triazole
CAS Number:
1094483-64-3
Molecular Formula:
C9H8IN3
Molecular Weight:
285.0844
MDL Number:
MFCD11215066
IUPAC Name:
3-(2-iodophenyl)-5-methyl-1H-1,2,4-triazole
InChI:
InChI=1S/C9H8IN3/c1-6-11-9(13-12-6)7-4-2-3-5-8(7)10/h2-5H,1H3,(H,11,12,13)
InChI Key:
DLXWNPSNQFIVFW-UHFFFAOYSA-N
SMILES:
Cc1n[nH]c(n1)c1ccccc1I
Properties
Complexity:
176
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.976g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.088g/mol
Monoisotopic Mass:
284.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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