AG0004AA

10135-00-9 | Benzo[b]thiophene-2-carboxaldehyde, 3-bromo-

AG0004AA

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CAS Number	10135-00-9
Catalog Number	AG0004AA(AGN-PC-0NJ7FU)
Chemical Name	Benzo[b]thiophene-2-carboxaldehyde, 3-bromo-
IUPAC Name	3-bromo-1-benzothiophene-2-carbaldehyde
InChI	InChI=1S/C9H5BrOS/c10-9-6-3-1-2-4-7(6)12-8(9)5-11/h1-5H
InChI Key	GQUZXULTSUGIRF-UHFFFAOYSA-N
MDL Number	MFCD00465001
Molecular Formula	C9H5BrOS
Molecular Weight	241.1044
SMILES	O=CC1=C(Br)C2=CC=CC=C2S1
Synonyms	10135-00-9, 3-Bromobenzo[b]thiophene-2-carbaldehyde, 3-Bromobenzothiophene-2-carboxaldehyde, 3-Bromo-1-benzothiophene-2-carbaldehyde, ACMC-20an8d, 3-Bromo-benzo[b]thiophene-2-carboxaldehyde, SCHEMBL11900815, CTK8C5953, DTXSID50500707, GQUZXULTSUGIRF-UHFFFAOYSA-N, 3-bromo-2-formylbenzo[b]thiophene, MFCD00465001, ZINC12955566, AKOS015909003, FCH1326338, AJ-63194, EN000888, FS002038, AX8085293, TC-169780, 3-Bromo-1-benzo[b]thiophene-2-carbaldehyde, 3-Bromobenzothiophene-2-carboxaldehyde, 95%, Benzo[b]thiophene-2-carboxaldehyde, 3-bromo-, J-000373, I14-33522, Benzo[b]thiophene,7-(bromomethyl)-,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	239.924g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	241.102g/mol
Monoisotopic Mass	239.924g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	45.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H301-H319
Packing Group	Ⅲ
Precautionary statements	P301+P310-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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