AG0037NJ

54390-97-5 | 5-Bromoisothiazole

AG0037NJ

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CAS Number	54390-97-5
Catalog Number	AG0037NJ(AGN-PC-0NJON6)
Chemical Name	5-Bromoisothiazole
IUPAC Name	5-bromo-1,2-thiazole
InChI	InChI=1S/C3H2BrNS/c4-3-1-2-5-6-3/h1-2H
InChI Key	XNONRNKAYRHZDJ-UHFFFAOYSA-N
MDL Number	MFCD11110322
Molecular Formula	C3H2BrNS
Molecular Weight	164.0237
SMILES	BrC1=CC=NS1
Synonyms	5-Bromoisothiazole, 54390-97-5, 5-Bromo-1,2-thiazole, Isothiazole, 5-bromo-, 5-Bromo-isothiazole, XNONRNKAYRHZDJ-UHFFFAOYSA-N, 5-bromoisothi-azole, PubChem12056, SCHEMBL3503301, CTK1G8960, DTXSID40505009, 7852AB, MFCD11110322, SBB027176, STL433100, ZINC34929291, AKOS006309556, MCULE-2346915540, NE64423, BC003629, SC-94419, DB-071843, ST4150461, FT-0604341, A18883, W-203049, C3H2BrNS,

Complexity	50.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	162.909g/mol
Formal Charge	0
Heavy Atom Count	6
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	164.02g/mol
Monoisotopic Mass	162.909g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P210-P261-P280-P303+P361+P353-P305+P351+P338-P370+P378-P403+P235-P405-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number