AG0034BU

53218-26-1 | 6-Bromo-1,3-Benzothiazole

AG0034BU

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CAS Number	53218-26-1
Catalog Number	AG0034BU(AGN-PC-0KL7CK)
Chemical Name	6-Bromo-1,3-Benzothiazole
IUPAC Name	6-bromo-1,3-benzothiazole
InChI	InChI=1S/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChI Key	YJOUISWKEOXIMC-UHFFFAOYSA-N
MDL Number	MFCD04115372
Molecular Formula	C7H4BrNS
Molecular Weight	214.0824
SMILES	n1csc2cc(ccc12)Br
Synonyms	6-Bromobenzothiazole, 53218-26-1, 6-bromo-1,3-benzothiazole, 6-bromobenzo[d]thiazole, 6-Bromo-benzothiazole, Benzothiazole, 6-bromo-, 6-BROMO-BENZO[D]THIAZOLE, MFCD04115372, AK-23853, AC1MDSRF, PubChem21861, ACMC-209l4t, SCHEMBL10543, 6-bromanyl-1,3-benzothiazole, CTK1G8974, DTXSID60383563, YJOUISWKEOXIMC-UHFFFAOYSA-N, BH757, ZINC158620, EBD52977, ZX-AT016031, ANW-31659, FC0568, SBB054570, STL267699, AKOS005199014, AB19945, CS-W003182, FCH1326611, FS-2687, HCH0025057, MCULE-3777295488, OR52121, RP04891, TRA0000434, 6-bromo-1,3-benzothiazole, AldrichCPR, AJ-15260, AN-40798, BC004681, BP-10781, BR-23853, CJ-01786, EN000729, FS002095, QC-11165, SC-15049, SY019446, ZB006975, AB0025327, AX8108313, DB-029242, ST2412249, TR-018822, 4CH-006800, AM20040643, FT-0620965, ST50949821, W6769, S-2601, MFCD04115372 (97+%), 218B261, A829453, I09-1335, J-518287, InChI=1/C7H4BrNS/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4, C7H4BrNS, Benzothiazole, 6-bromo- (9CI), ZINC00158620, CID2795171, A7742, 6-Bromo-1,3-benzothiazole, 97% - 1G 1g,

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
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code	\N

Certificate of Analysis

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