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1152849-82-5 | 3-(4-iodophenyl)-5-methyl-1H-1,2,4-triazole
CAS No: 1152849-82-5 Catalog No: AG019S2Z MDL No:MFCD11106658
Product Description
Catalog Number:
AG019S2Z
Chemical Name:
3-(4-iodophenyl)-5-methyl-1H-1,2,4-triazole
CAS Number:
1152849-82-5
Molecular Formula:
C9H8IN3
Molecular Weight:
285.0844
MDL Number:
MFCD11106658
IUPAC Name:
3-(4-iodophenyl)-5-methyl-1H-1,2,4-triazole
InChI:
InChI=1S/C9H8IN3/c1-6-11-9(13-12-6)7-2-4-8(10)5-3-7/h2-5H,1H3,(H,11,12,13)
InChI Key:
WTVAFLGPWTUWIS-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)c1n[nH]c(n1)C
Properties
Complexity:
168
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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