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164589-78-0 | 1H-Tetrazole, 5-iodo-1-[(4-methoxyphenyl)methyl]-
CAS No: 164589-78-0 Catalog No: AG001UY4 MDL No:
Product Description
Catalog Number:
AG001UY4
Chemical Name:
1H-Tetrazole, 5-iodo-1-[(4-methoxyphenyl)methyl]-
CAS Number:
164589-78-0
Molecular Formula:
C9H9IN4O
Molecular Weight:
316.0984
IUPAC Name:
5-iodo-1-[(4-methoxyphenyl)methyl]tetrazole
InChI:
InChI=1S/C9H9IN4O/c1-15-8-4-2-7(3-5-8)6-14-9(10)11-12-13-14/h2-5H,6H2,1H3
InChI Key:
KSJKWVSIVPEXBP-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Cn1nnnc1I
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.982g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.102g/mol
Monoisotopic Mass:
315.982g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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