AG00I8PY

478828-53-4 | 5-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole

AG00I8PY

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CAS Number	478828-53-4
Catalog Number	AG00I8PY(AGN-PC-0WAKER)
Chemical Name	5-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-indazole
IUPAC Name	5-bromo-1-(oxan-2-yl)indazole
InChI	InChI=1S/C12H13BrN2O/c13-10-4-5-11-9(7-10)8-14-15(11)12-3-1-2-6-16-12/h4-5,7-8,12H,1-3,6H2
InChI Key	SOSQXTINASWATM-UHFFFAOYSA-N
MDL Number	MFCD12922964
Molecular Formula	C12H13BrN2O
Molecular Weight	281.1484
SMILES	Brc1ccc2c(c1)cnn2C1CCCCO1
Synonyms	5-BROMO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-INDAZOLE, 478828-53-4, 5-Bromo-1-(2-tetrahydropyranyl)indazole, MFCD12922964, SCHEMBL658009, 1H-Indazole, 5-bromo-1-(tetrahydro-2H-pyran-2-yl)-, SOSQXTINASWATM-UHFFFAOYSA-N, AKOS027256036, 5-Bromo-1-(oxan-2-yl)-1H-indazole, SY040042, TZ000905, CS-0035922, FT-0723962, Z0624, 5-Bromo-1-(2-tetrahydropyranyl)-1H-indazole, MFCD12922964 (95%), Q-7048, 5-bromo-1-(tetrahydro-pyran-2-yl)-1h-indazole, 5-bromo-1-tetrahydro-2H-pyran-2-yl-1H-indazole, C9H14BNO3,

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

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P280a-P304+P340-P305+P351+P338-P405-P501a
UN Code	\N

Certificate of Analysis

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