AG003676

768-11-6 | 5-Bromo-benzothiazole

AG003676

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CAS Number	768-11-6
Catalog Number	AG003676(AGN-PC-0KXBCH)
Chemical Name	5-Bromo-benzothiazole
IUPAC Name	5-bromo-1,3-benzothiazole
InChI	InChI=1S/C7H4BrNS/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChI Key	KFDDRUWQFQJGNL-UHFFFAOYSA-N
MDL Number	MFCD03001442
Molecular Formula	C7H4BrNS
Molecular Weight	214.0824
SMILES	BrC=1C=CC2=C(N=CS2)C1
Synonyms	5-bromobenzothiazole, 768-11-6, 5-bromo-1,3-benzothiazole, 5-BROMOBENZO[D]THIAZOLE, 5-bromo-benzothiazole, Benzothiazole, 5-bromo-, AK-30499, MFCD03001442, PubChem21859, AC1MTZ4O, 5-bromobenzothiazole, 97%, SCHEMBL858270, 5-bromanyl-1,3-benzothiazole, ACMC-209p61, 5-bromobenzothiazole, AldrichCPR, CTK2H6841, DTXSID40394152, KFDDRUWQFQJGNL-UHFFFAOYSA-N, ANW-36887, ZINC30677661, AKOS015834697, AB12828, CS-W004741, FCH1334605, FS-2969, RP26799, KS-00000F34, AJ-83879, AN-47523, BC004680, BR-30499, CJ-17702, OR015035, SC-51075, SY025301, AB0026641, AX8103039, DB-008451, ST2411878, TR-024574, 4CH-006587, FT-0647650, W8352, MFCD03001442 (97%), B-5261, 768B116, A838838, J-517159, C7H4BrNS, pyrazine-2-carbohydrazide, CID3610155, Benzothiazole, 5-bromo- (7CI,8CI,9CI), C2264, 5-Bromobenzo[d]thiazole, 97% - 100MG 100mg,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	212.925g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	214.08g/mol
Monoisotopic Mass	212.925g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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

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