AG002VOL

28540-51-4 | Benzo[b]thiophene-2-carboxaldehyde, 5-chloro-

AG002VOL

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CAS Number	28540-51-4
Catalog Number	AG002VOL(AGN-PC-01WFSC)
Chemical Name	Benzo[b]thiophene-2-carboxaldehyde, 5-chloro-
IUPAC Name	5-chloro-1-benzothiophene-2-carbaldehyde
InChI	InChI=1S/C9H5ClOS/c10-7-1-2-9-6(3-7)4-8(5-11)12-9/h1-5H
InChI Key	ZKNZDTHWZYRQIH-UHFFFAOYSA-N
MDL Number	MFCD16622780
Molecular Formula	C9H5ClOS
Molecular Weight	196.6534
SMILES	O=CC1=CC2=CC(Cl)=CC=C2S1
Synonyms	5-chlorobenzo[b]thiophene-2-carbaldehyde, 28540-51-4, 5-chloro-1-benzothiophene-2-carbaldehyde, 5-chlorobenzo[b]thiophene-2-carboxaldehyde, SCHEMBL3618744, CTK4G1685, DTXSID10594127, ZKNZDTHWZYRQIH-UHFFFAOYSA-N, 5-chlorobenzothiophene-2-carbaldehyde, FCH925267, MFCD16622780, SBB092070, ZINC52507727, AKOS006336790, 5-chlorobenzothiophene-2-carboxaldehyde, DE-0702, RP11581, KS-000024D2, DA-07346, AJ-112074, AX8287704, TR-036360, 5-chloro-1-benzo[b]thiophene-2-carbaldehyde, FT-0681892, J3.514.281I, Benzo[b]thiophene-2-carboxaldehyde, 5-chloro-, J-517382, I01-14310,

Complexity	185
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	195.975g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	196.648g/mol
Monoisotopic Mass	195.975g/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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number