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Home > Nitro Compounds > 150187-67-0
150187-67-0 | 1H-Indazole, 6-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 150187-67-0 Catalog No: AG001MEO MDL No:MFCD19443356
Product Description
Catalog Number:
AG001MEO
Chemical Name:
1H-Indazole, 6-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
150187-67-0
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD19443356
IUPAC Name:
6-nitro-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H13N3O3/c16-15(17)10-5-4-9-8-13-14(11(9)7-10)12-3-1-2-6-18-12/h4-5,7-8,12H,1-3,6H2
InChI Key:
OIFSKQHPJITOPF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)n(nc2)C1CCCCO1
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.096g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.254g/mol
Monoisotopic Mass:
247.096g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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