AG00IBAD

63837-11-6 | Benzothiazole, 5-bromo-2-methyl-

AG00IBAD

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CAS Number	63837-11-6
Catalog Number	AG00IBAD(AGN-PC-0KNWSA)
Chemical Name	Benzothiazole, 5-bromo-2-methyl-
EC Number	264-510-7
IUPAC Name	5-bromo-2-methyl-1,3-benzothiazole
InChI	InChI=1S/C8H6BrNS/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H3
InChI Key	OLQKNZNXLBILDD-UHFFFAOYSA-N
MDL Number	MFCD00603096
Molecular Formula	C8H6BrNS
Molecular Weight	228.1089
SMILES	C1=CC(=CC2=C1SC(=N2)C)Br
Synonyms	5-Bromo-2-methylbenzothiazole, 63837-11-6, 2-Methyl-5-bromobenzothiazole, 5-bromo-2-methyl-1,3-benzothiazole, 5-Bromo-2-methyl-1,3-benzthiazole, 5-bromo-2-methylbenzo[d]thiazole, 5-BROMO-2-METHYBENZOTHIAZOLE, Benzothiazole, 5-bromo-2-methyl-, 5-bromo-2-methyl-benzothiazole, 5-Bromo-2-methyl benzothiazole, GEO-00493, AK-32280, W-200475, EINECS 264-510-7, zlchem 888, PubChem13564, ACMC-209nip, AC1MI4SM, AC1Q2PD8, KSC495A3J, SCHEMBL202298, CTK3J5034, ZLD0349, OLQKNZNXLBILDD-UHFFFAOYSA-N, ACT02339, ZINC2566775, ANW-34751, MFCD00603096, SBB054572, 5-Bromo-2-methylbenzothiazole, 95%, AKOS005254385, CS-W005065, FCH1321711, FS-2391, MCULE-5514339628, RP27738, RTR-021942, VT10109, AJ-41323, AN-25324, BC003774, BP-10746, BR-32280, CC-11408, CJ-09765, OR322183, SC-16858, AB0002503, AX8010940, DB-021354, ST2411813, TL8004504, TR-021942, 4CH-006886, FT-0620106, ST50949822, W7565, S-1817, 41145-EP2298734A2, 41145-EP2311831A1, 5-Bromo-2-methyl-1,3-benzothiazole, AldrichCPR, 837B116, C-13036, I01-0755, Bromomethylbenzothiazole, C8H6BrNS, C8-H6-Br-N-S, CID3017457, B1798, A15991,

Complexity	153
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	226.94g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	228.107g/mol
Monoisotopic Mass	226.94g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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