AG00HACM

1044270-96-3 | 3-Bromo-1-(oxan-2-yl)pyrazole

AG00HACM

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CAS Number	1044270-96-3
Catalog Number	AG00HACM(AGN-PC-0WBRFM)
Chemical Name	3-Bromo-1-(oxan-2-yl)pyrazole
IUPAC Name	3-bromo-1-(oxan-2-yl)pyrazole
InChI	InChI=1S/C8H11BrN2O/c9-7-4-5-11(10-7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChI Key	DFCAINPSKAFWCM-UHFFFAOYSA-N
MDL Number	MFCD16659986
Molecular Formula	C8H11BrN2O
Molecular Weight	231.0897
SMILES	BrC1=NN(C2CCCCO2)C=C1
Synonyms	1044270-96-3, 3-Bromo-1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazole, 3-bromo-1-(oxan-2-yl)-1h-pyrazole, 3-Bromo-1-tetrahydropyran-2-yl-pyrazole, SCHEMBL3743278, 3-bromo-1-(oxan-2-yl)pyrazole, DTXSID50727174, MFCD16659986, AKOS025289937, 3-Bromo-1-(2-tetrahydropyranyl)pyrazole, AS-51106, CS-0051500, 3-Bromo-1-(2-tetrahydropyranyl)-1H-pyrazole, KS-00000887, 3-Bromo-1-(2-tetrahydropyranyl)-1H-pyrazole, 95%,

Complexity	156
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	230.005g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	231.093g/mol
Monoisotopic Mass	230.005g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	27A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number