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1566309-87-2 | 3-(3-iodophenyl)-1-methyl-1H-1,2,4-triazole
CAS No: 1566309-87-2 Catalog No: AG01C2NM MDL No:MFCD26838339
Product Description
Catalog Number:
AG01C2NM
Chemical Name:
3-(3-iodophenyl)-1-methyl-1H-1,2,4-triazole
CAS Number:
1566309-87-2
Molecular Formula:
C9H8IN3
Molecular Weight:
285.0844
MDL Number:
MFCD26838339
IUPAC Name:
3-(3-iodophenyl)-1-methyl-1,2,4-triazole
InChI:
InChI=1S/C9H8IN3/c1-13-6-11-9(12-13)7-3-2-4-8(10)5-7/h2-6H,1H3
InChI Key:
VIIWQKBQCVTWPX-UHFFFAOYSA-N
SMILES:
Ic1cccc(c1)c1ncn(n1)C
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:
0
Isotope Atom Count:
0
Molecular Weight:
285.088g/mol
Monoisotopic Mass:
284.976g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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