AG007RSJ

19404-18-3 | 5-Chloro-3-methylbenzo[b]thiophene

AG007RSJ

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CAS Number	19404-18-3
Catalog Number	AG007RSJ(AGN-PC-0JOWRD)
Chemical Name	5-Chloro-3-methylbenzo[b]thiophene
EC Number	606-305-0
IUPAC Name	5-chloro-3-methyl-1-benzothiophene
InChI	InChI=1S/C9H7ClS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChI Key	UWDQVEPXORTQFO-UHFFFAOYSA-N
MDL Number	MFCD00052506
Molecular Formula	C9H7ClS
Molecular Weight	182.6699
NSC Number	248678
SMILES	CC1=CSC2=CC=C(Cl)C=C21
Synonyms	5-Chloro-3-methylbenzo[b]thiophene, 19404-18-3, 5-chloro-3-methylthianaphthene, 5-Chloro-3-methyl benzo[b]thiophene, 5-chloro-3-methyl-1-benzothiophene, 5-chloro-3-methylbenzothiophene, CHEMBL3358213, GEO-00711, MFCD00052506, 5-chloro-3-methylbenzo(b)thiophene, 5-Chloro-3-methylbenzo[b]thiophene, 97%, 4-Methylthio phenol, NSC248678, zlchem 217, PubChem7372, ACMC-209exr, Maybridge1_005366, AC1L7VQ5, SCHEMBL167540, CTK3J1459, HMS556L20, DTXSID40311985, ZLC0024, UWDQVEPXORTQFO-UHFFFAOYSA-N, ZINC162004, 3-Methyl-5-chlorobenzo[b]thiophene, ACT05964, KS-000012CE, ZX-AT010541, 5-chloro-3-methyl-benzo[b]thiophene, 5-chloro-3-methylbenzo-[b]thiophene, ANW-23629, BDBM50037882, FCH917682, MWP 00002, OR1242, SBB089968, 5-chloro-3-methyl benzo[b] thiophene, AKOS005199259, MCULE-2062684193, NSC-248678, QC-7343, RP24375, RTR-009025, SB14690, TRA0024870, VZ30238, ACM19404183, AC-16546, AJ-15870, AK-45700, AS-17324, BR-45700, CC-21571, CJ-02027, U549, ZB007772, AB0002637, AX8007397, DB-032349, ST2406209, TL8006895, TR-009025, FT-0620291, ST50406858, M-2561, 5-Chloro-3-methyl-1-benzothiophene, AldrichCPR, 404C183, C-07062, J-517355, S09-0072, C9H7ClS, CID317317, ACN-001234, C2457, A15985, 5-Chloro-3-methylbenzothiophene, 97% - 1G 1g,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	181.996g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	182.665g/mol
Monoisotopic Mass	181.996g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.9

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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