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1266386-31-5 | 2H-Indazole, 4-bromo-2-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1266386-31-5 Catalog No: AG000T1Y MDL No:
Product Description
Catalog Number:
AG000T1Y
Chemical Name:
2H-Indazole, 4-bromo-2-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1266386-31-5
Molecular Formula:
C12H13BrN2O
Molecular Weight:
281.1484
IUPAC Name:
4-bromo-2-(oxan-2-yl)indazole
InChI:
InChI=1S/C12H13BrN2O/c13-10-4-3-5-11-9(10)8-15(14-11)12-6-1-2-7-16-12/h3-5,8,12H,1-2,6-7H2
InChI Key:
JJJWAPQDJLALQV-UHFFFAOYSA-N
SMILES:
Brc1cccc2c1cn(n2)C1CCCCO1
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
281.153g/mol
Monoisotopic Mass:
280.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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