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1214900-69-2 | 1H-Indazol-3-amine, 6-bromo-N-(tetrahydro-2H-pyran-4-yl)-
CAS No: 1214900-69-2 Catalog No: AG001527 MDL No:
Product Description
Catalog Number:
AG001527
Chemical Name:
1H-Indazol-3-amine, 6-bromo-N-(tetrahydro-2H-pyran-4-yl)-
CAS Number:
1214900-69-2
Molecular Formula:
C12H14BrN3O
Molecular Weight:
296.1631
IUPAC Name:
6-bromo-N-(oxan-4-yl)-1H-indazol-3-amine
InChI:
InChI=1S/C12H14BrN3O/c13-8-1-2-10-11(7-8)15-16-12(10)14-9-3-5-17-6-4-9/h1-2,7,9H,3-6H2,(H2,14,15,16)
InChI Key:
JDCLLHCVKBKIRJ-UHFFFAOYSA-N
SMILES:
Brc1ccc2c(c1)[nH]nc2NC1CCOCC1
Properties
Complexity:
260
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:
2
Isotope Atom Count:
0
Molecular Weight:
296.168g/mol
Monoisotopic Mass:
295.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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