AG002ERU

19075-53-7 | 6-Bromobenzo[B]Thiophene-3-Carbaldehyde

AG002ERU

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CAS Number	19075-53-7
Catalog Number	AG002ERU(AGN-PC-0WD603)
Chemical Name	6-Bromobenzo[B]Thiophene-3-Carbaldehyde
IUPAC Name	6-bromo-1-benzothiophene-3-carbaldehyde
InChI	InChI=1S/C9H5BrOS/c10-7-1-2-8-6(4-11)5-12-9(8)3-7/h1-5H
InChI Key	PBCQAUIPFVKGOW-UHFFFAOYSA-N
MDL Number	MFCD25542199
Molecular Formula	C9H5BrOS
Molecular Weight	241.1044
SMILES	O=CC1=CSC2=CC(Br)=CC=C21
Synonyms	6-BROMOBENZO[B]THIOPHENE-3-CARBALDEHYDE, 19075-53-7, 6-bromo-benzo[b]thiophene-3-carbaldehyde, SCHEMBL6811552, PBCQAUIPFVKGOW-UHFFFAOYSA-N, MFCD25542199, ZINC95803772, AKOS022190050, FCH2409740, AS-41843, 6-Bromo-1-benzothiophene-3-carboxaldehyde, AJ-133924, AX8287718, Benzo[b]thiophene-3-carboxaldehyde, 6-bromo-,

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	3.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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