AG003CTD

19654-19-4 | 2-(4-Bromophenyl)benzo[d]thiazole

AG003CTD

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CAS Number	19654-19-4
Catalog Number	AG003CTD(AGN-PC-0KERGT)
Chemical Name	2-(4-Bromophenyl)benzo[d]thiazole
IUPAC Name	2-(4-bromophenyl)-1,3-benzothiazole
InChI	InChI=1S/C13H8BrNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key	FQIRBKKYMJKENC-UHFFFAOYSA-N
MDL Number	MFCD00579199
Molecular Formula	C13H8BrNS
Molecular Weight	290.1783
SMILES	BrC1=CC=C(C2=NC3=CC=CC=C3S2)C=C1
Synonyms	2-(4-Bromophenyl)benzothiazole, 19654-19-4, 2-(4-bromophenyl)benzo[d]thiazole, 2-(4-bromophenyl)-1,3-benzothiazole, 1-(2-Benzothiazolyl)-4-bromobenzene, 2-(4-Bromo-phenyl)-benzothiazole, ACMC-1BVNO, AC1M52MB, 2-(4-bromophenyl)benzthiazole, SCHEMBL1448988, SCHEMBL4152344, CHEMBL1808312, CTK8B1117, DTXSID20368073, FQIRBKKYMJKENC-UHFFFAOYSA-N, ZINC3190931, ANW-23722, ARK102849, MFCD00579199, STL169336, AKOS000472898, 2-(4-Bromophenyl)benzothiazole, 97%, MCULE-5846620716, VT10025, KS-0000177X, AC-27911, CC-05744, SY046127, DB-044936, TC-112467, B2679, BB 0256445, FT-0637884, MFCD00579199 (98%), A813858, C-18202, J-012703, I14-58193, ZINC03190931, ACN-029696, CID2320602,

Complexity	240
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	288.956g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	290.178g/mol
Monoisotopic Mass	288.956g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335-H413
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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