AG002G4K

1926172-50-0 | 1H-Indazole, 4-bromo-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-

AG002G4K

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CAS Number	1926172-50-0
Catalog Number	AG002G4K(AGN-PC-0WAMI7)
Chemical Name	1H-Indazole, 4-bromo-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-
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
MDL Number	MFCD19443358
Molecular Formula	C13H15BrN2O
Molecular Weight	295.1750
SMILES	CC1=C(Br)C2=C(N(C3CCCCO3)N=C2)C=C1
Synonyms	1926172-50-0, 4-Bromo-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole, AK323565, 4-Bromo-1-(tetrahydro-2H-pyran-2-yl)-5-methyl-1H-indazole, SCHEMBL19637212, KS-00000L9W, MFCD19443358, AKOS027250602, ACN-044017, DS-12079, 4-bromo-5-methyl-1-(oxan-2-yl)indazole, Y5752, 1H-Indazole, 4-bromo-5-methyl-1-(tetrahydro-2H-pyran-2-yl)-, C13H15BrN2O,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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