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1315577-17-3 | 3-iodo-1-methyl-5-nitro-1H-indazole
CAS No: 1315577-17-3 Catalog No: AG00IWRH MDL No:MFCD19686128
Product Description
Catalog Number:
AG00IWRH
Chemical Name:
3-iodo-1-methyl-5-nitro-1H-indazole
CAS Number:
1315577-17-3
Molecular Formula:
C8H6IN3O2
Molecular Weight:
303.0566
MDL Number:
MFCD19686128
IUPAC Name:
3-iodo-1-methyl-5-nitroindazole
InChI:
InChI=1S/C8H6IN3O2/c1-11-7-3-2-5(12(13)14)4-6(7)8(9)10-11/h2-4H,1H3
InChI Key:
PWYBPNMCKJCWAW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)c(I)nn2C
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
302.95g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
303.059g/mol
Monoisotopic Mass:
302.95g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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