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Home > Bromides > 1926172-50-0
1926172-50-0 | 1H-Indazole, 4-bromo-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1926172-50-0 Catalog No: AG002G4K MDL No:MFCD19443358
Product Description
Catalog Number:
AG002G4K
Chemical Name:
1H-Indazole, 4-bromo-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1926172-50-0
Molecular Formula:
C13H15BrN2O
Molecular Weight:
295.1750
MDL Number:
MFCD19443358
IUPAC Name:
4-bromo-5-methyl-1-(oxan-2-yl)indazole
InChI:
InChI=1S/C13H15BrN2O/c1-9-5-6-11-10(13(9)14)8-15-16(11)12-4-2-3-7-17-12/h5-6,8,12H,2-4,7H2,1H3
InChI Key:
QYBLJMHBINRKQM-UHFFFAOYSA-N
SMILES:
Cc1ccc2c(c1Br)cnn2C1CCCCO1
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.037g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.18g/mol
Monoisotopic Mass:
294.037g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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