AG00948G

1187582-58-6 | 5-BroMo-1-(oxan-2-yl)pyrazole

AG00948G

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CAS Number	1187582-58-6
Catalog Number	AG00948G(AGN-PC-0WCKM7)
Chemical Name	5-BroMo-1-(oxan-2-yl)pyrazole
IUPAC Name	5-bromo-1-(oxan-2-yl)pyrazole
InChI	InChI=1S/C8H11BrN2O/c9-7-4-5-10-11(7)8-3-1-2-6-12-8/h4-5,8H,1-3,6H2
InChI Key	CVHYIERLKZMAPH-UHFFFAOYSA-N
MDL Number	MFCD12913903
Molecular Formula	C8H11BrN2O
Molecular Weight	231.0897
SMILES	BrC1=CC=NN1C2CCCCO2
Synonyms	1187582-58-6, 5-BROMO-1-(TETRAHYDRO-2H-PYRAN-2-YL)-1H-PYRAZOLE, 5-bromo-1-(oxan-2-yl)-1H-pyrazole, SCHEMBL18758225, 5-bromo-1-(oxan-2-yl)pyrazole, KM5583, MFCD12913903, AKOS015966637, SB11404, AK170942, AS-50938, CS-0054030, Z8029, C8H11BrN2O,

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-H320-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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