AG0007IE

1024583-33-2 | 6-Benzothiazolecarboxylic acid, 2-bromo-, methyl ester

AG0007IE

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CAS Number	1024583-33-2
Catalog Number	AG0007IE(AGN-PC-080TYK)
Chemical Name	6-Benzothiazolecarboxylic acid, 2-bromo-, methyl ester
IUPAC Name	methyl 2-bromo-1,3-benzothiazole-6-carboxylate
InChI	InChI=1S/C9H6BrNO2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3
InChI Key	XYBYYJDNPLGJSA-UHFFFAOYSA-N
MDL Number	MFCD16660646
Molecular Formula	C9H6BrNO2S
Molecular Weight	272.1184
SMILES	O=C(C1=CC=C2N=C(Br)SC2=C1)OC
Synonyms	methyl 2-bromobenzo[d]thiazole-6-carboxylate, 1024583-33-2, methyl 2-bromo-1,3-benzothiazole-6-carboxylate, 2-Bromo-benzothiazole-6-carboxylic acid methyl ester, AK-50906, SCHEMBL1980717, CTK4A1111, DTXSID20677258, XYBYYJDNPLGJSA-UHFFFAOYSA-N, BCP26782, KS-00000HZ0, ANW-49168, CM-028, MFCD16660646, ZINC64034158, AKOS015898827, CS-W008855, FCH1346989, BR-50906, DS-15563, AB0034460, AJ-114735, AX8162464, DB-001047, TC-061710, 4CH-008815, AM20020105, FT-0764810, ST24030943, X8617, S-5126, Z-8765, 2-Bromobenzothiazole-6-carboxylic acid methyl ester, I09-1680, 6-Benzothiazolecarboxylic acid, 2-bromo-, methyl ester, C9H6BrNO2S, A15067,

Complexity	239
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	270.93g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	272.116g/mol
Monoisotopic Mass	270.93g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	67.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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

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