AG007PQG

1187928-32-0 | 6-Bromobenzo[d]thiazole-2-carboxylic acid

AG007PQG

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CAS Number	1187928-32-0
Catalog Number	AG007PQG(AGN-PC-09RRSB)
Chemical Name	6-Bromobenzo[d]thiazole-2-carboxylic acid
IUPAC Name	6-bromo-1,3-benzothiazole-2-carboxylic acid
InChI	InChI=1S/C8H4BrNO2S/c9-4-1-2-5-6(3-4)13-7(10-5)8(11)12/h1-3H,(H,11,12)
InChI Key	AQBJCIGZRNFZBK-UHFFFAOYSA-N
MDL Number	MFCD09027533
Molecular Formula	C8H4BrNO2S
Molecular Weight	258.0919
SMILES	O=C(C1=NC2=CC=C(Br)C=C2S1)O
Synonyms	6-Bromobenzo[d]thiazole-2-carboxylic acid, 1187928-32-0, 6-BROMO-1,3-BENZOTHIAZOLE-2-CARBOXYLIC ACID, 6-BROMOBENZOTHIAZOLE-2-CARBOXYLIC ACID, 6-BROMO-BENZOTHIAZOLE-2-CARBOXYLIC ACID, SCHEMBL4137369, CTK8C4994, DTXSID40696264, 3109AA, ANW-73699, MFCD09027533, ZINC85225028, AKOS016007747, PB18931, AS-30983, AJ-127684, ST2406433, TC-162444, CS-0054620, FT-0708712, Q-3190, C8H4BrNO2S, 2-Benzothiazolecarboxylic acid, 6-bromo-, C2308,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	256.915g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	258.089g/mol
Monoisotopic Mass	256.915g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	78.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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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