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1235407-33-6 | 1H-Pyrazole, 4-bromo-3-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1235407-33-6 Catalog No: AG000KR8 MDL No:
Product Description
Catalog Number:
AG000KR8
Chemical Name:
1H-Pyrazole, 4-bromo-3-nitro-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1235407-33-6
Molecular Formula:
C8H10BrN3O3
Molecular Weight:
276.0873
IUPAC Name:
4-bromo-3-nitro-1-(oxan-2-yl)pyrazole
InChI:
InChI=1S/C8H10BrN3O3/c9-6-5-11(10-8(6)12(13)14)7-3-1-2-4-15-7/h5,7H,1-4H2
InChI Key:
JDGFYLDHUHASJC-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1nn(cc1Br)C1CCCCO1
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.991g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.09g/mol
Monoisotopic Mass:
274.991g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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