AG000ZOR

131748-91-9 | 2-Bromo-5-bromomethylthiazole

AG000ZOR

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CAS Number	131748-91-9
Catalog Number	AG000ZOR(AGN-PC-0MTZS1)
Chemical Name	2-Bromo-5-bromomethylthiazole
IUPAC Name	2-bromo-5-(bromomethyl)-1,3-thiazole
InChI	InChI=1S/C4H3Br2NS/c5-1-3-2-7-4(6)8-3/h2H,1H2
InChI Key	YYHRYECWWYONCH-UHFFFAOYSA-N
MDL Number	MFCD07368378
Molecular Formula	C4H3Br2NS
Molecular Weight	256.9463
SMILES	BrCC1=CN=C(Br)S1
Synonyms	2-bromo-5-(bromomethyl)thiazole, 131748-91-9, 2-BROMO-5-BROMOMETHYL-THIAZOLE, Thiazole, 2-bromo-5-(bromomethyl)-, 2-bromo-5-(bromomethyl)-1,3-thiazole, 2-bromo-5-bromomethylthiazole, SCHEMBL1639997, CTK4B7492, DTXSID20431236, YYHRYECWWYONCH-UHFFFAOYSA-N, ANW-70593, MFCD07368378, RW4079, ZINC66331936, AKOS015897652, CB-3180, CS-W006237, MP-0327, QC-3653, KS-00000Z46, AK-57693, CJ-21297, SC-52949, AB0052099, AJ-116151, ST2416576, TC-159338, 4CH-004150, 2-Bromo-5-(bromomethyl)-1,3-thiazole, AldrichCPR, I09-1316, I09-2029, ACN-047889, CID9816551, A2771,

Complexity	80.4
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.833g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	256.943g/mol
Monoisotopic Mass	254.835g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number