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1227269-40-0 | 1H-Indazole, 3-iodo-6-phenyl-
CAS No: 1227269-40-0 Catalog No: AG000J62 MDL No:
Product Description
Catalog Number:
AG000J62
Chemical Name:
1H-Indazole, 3-iodo-6-phenyl-
CAS Number:
1227269-40-0
Molecular Formula:
C13H9IN2
Molecular Weight:
320.1284
IUPAC Name:
3-iodo-6-phenyl-2H-indazole
InChI:
InChI=1S/C13H9IN2/c14-13-11-7-6-10(8-12(11)15-16-13)9-4-2-1-3-5-9/h1-8H,(H,15,16)
InChI Key:
CNKMVUYZPGCZDS-UHFFFAOYSA-N
SMILES:
Ic1n[nH]c2c1ccc(c2)c1ccccc1
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.981g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.133g/mol
Monoisotopic Mass:
319.981g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
28.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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