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1190321-03-9 | 1H-Indazole, 3,7-diiodo-6-methoxy-
CAS No: 1190321-03-9 Catalog No: AG000HXZ MDL No:
Product Description
Catalog Number:
AG000HXZ
Chemical Name:
1H-Indazole, 3,7-diiodo-6-methoxy-
CAS Number:
1190321-03-9
Molecular Formula:
C8H6I2N2O
Molecular Weight:
399.9550
IUPAC Name:
3,7-diiodo-6-methoxy-2H-indazole
InChI:
InChI=1S/C8H6I2N2O/c1-13-5-3-2-4-7(6(5)9)11-12-8(4)10/h2-3H,1H3,(H,11,12)
InChI Key:
PTTVVOHZSDDNPP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1I)[nH]nc2I
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
399.857g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
399.958g/mol
Monoisotopic Mass:
399.857g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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