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864068-93-9 | 1H-1,2,4-Triazole,1-[(4-iodophenyl)methyl]-
CAS No: 864068-93-9 Catalog No: AG004R6Q MDL No:MFCD08060477
Product Description
Catalog Number:
AG004R6Q
Chemical Name:
1H-1,2,4-Triazole,1-[(4-iodophenyl)methyl]-
CAS Number:
864068-93-9
Molecular Formula:
C9H8IN3
Molecular Weight:
285.0844
MDL Number:
MFCD08060477
IUPAC Name:
1-[(4-iodophenyl)methyl]-1,2,4-triazole
InChI:
InChI=1S/C9H8IN3/c10-9-3-1-8(2-4-9)5-13-7-11-6-12-13/h1-4,6-7H,5H2
InChI Key:
HCPXRFMOQIIBRI-UHFFFAOYSA-N
SMILES:
Ic1ccc(cc1)Cn1ncnc1
Properties
Complexity:
157
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:
2
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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