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205643-28-3 | 1H-Indazole, 3-iodo-1-(phenylmethyl)-
CAS No: 205643-28-3 Catalog No: AG002A8C MDL No:
Product Description
Catalog Number:
AG002A8C
Chemical Name:
1H-Indazole, 3-iodo-1-(phenylmethyl)-
CAS Number:
205643-28-3
Molecular Formula:
C14H11IN2
Molecular Weight:
334.1550
IUPAC Name:
1-benzyl-3-iodoindazole
InChI:
InChI=1S/C14H11IN2/c15-14-12-8-4-5-9-13(12)17(16-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChI Key:
IVIIKKBMPVKPKO-UHFFFAOYSA-N
SMILES:
Ic1nn(c2c1cccc2)Cc1ccccc1
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.997g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.16g/mol
Monoisotopic Mass:
333.997g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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