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151899-61-5 | 5-iodo-1-(triphenylMethyl)-1H-1,2,4-Triazole
CAS No: 151899-61-5 Catalog No: AG00ATFY MDL No:MFCD25542396
Product Description
Catalog Number:
AG00ATFY
Chemical Name:
5-iodo-1-(triphenylMethyl)-1H-1,2,4-Triazole
CAS Number:
151899-61-5
Molecular Formula:
C21H16IN3
Molecular Weight:
437.2763
MDL Number:
MFCD25542396
IUPAC Name:
5-iodo-1-trityl-1,2,4-triazole
InChI:
InChI=1S/C21H16IN3/c22-20-23-16-24-25(20)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16H
InChI Key:
QNCJCRXIYSCNSK-UHFFFAOYSA-N
SMILES:
Ic1ncnn1C(c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
366
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
437.039g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
437.284g/mol
Monoisotopic Mass:
437.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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