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Home > Nitro Compounds > 150187-64-7
150187-64-7 | 1H-Indazole, 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 150187-64-7 Catalog No: AG001MEP MDL No:MFCD19443355
Product Description
Catalog Number:
AG001MEP
Chemical Name:
1H-Indazole, 5-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
150187-64-7
Molecular Formula:
C12H13N3O3
Molecular Weight:
247.2499
MDL Number:
MFCD19443355
IUPAC Name:
5-nitro-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H13N3O3/c16-15(17)10-4-5-11-9(7-10)8-13-14(11)12-3-1-2-6-18-12/h4-5,7-8,12H,1-3,6H2
InChI Key:
CXFMGDIFPKDLMQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cnn2C1CCCCO1
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:
2.2
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