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1788054-90-9 | 1H-Indazol-5-amine, 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-
CAS No: 1788054-90-9 Catalog No: AG0026DR MDL No:MFCD28501496
Product Description
Catalog Number:
AG0026DR
Chemical Name:
1H-Indazol-5-amine, 3-bromo-1-(tetrahydro-2H-pyran-2-yl)-
CAS Number:
1788054-90-9
Molecular Formula:
C12H14BrN3O
Molecular Weight:
296.1631
MDL Number:
MFCD28501496
IUPAC Name:
3-bromo-1-(oxan-2-yl)indazol-5-amine
InChI:
InChI=1S/C12H14BrN3O/c13-12-9-7-8(14)4-5-10(9)16(15-12)11-3-1-2-6-17-11/h4-5,7,11H,1-3,6,14H2
InChI Key:
FITFDPUUMBYADB-UHFFFAOYSA-N
SMILES:
Nc1ccc2c(c1)c(Br)nn2C1CCCCO1
Properties
Complexity:
279
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.032g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.168g/mol
Monoisotopic Mass:
295.032g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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