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886230-74-6 | 3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CAS No: 886230-74-6 Catalog No: AG00H1D0 MDL No:MFCD20486882
Product Description
Catalog Number:
AG00H1D0
Chemical Name:
3-Iodo-6-nitro-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
CAS Number:
886230-74-6
Molecular Formula:
C12H12IN3O3
Molecular Weight:
373.1464
MDL Number:
MFCD20486882
IUPAC Name:
3-iodo-6-nitro-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H12IN3O3/c13-12-9-5-4-8(16(17)18)7-10(9)15(14-12)11-3-1-2-6-19-11/h4-5,7,11H,1-3,6H2
InChI Key:
BLNITUQUAUXMJG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(nc2I)C1CCCCO1
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.992g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
373.15g/mol
Monoisotopic Mass:
372.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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