AG000PNR

1198-51-2 | Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-

AG000PNR

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CAS Number	1198-51-2
Catalog Number	AG000PNR(AGN-PC-0KKZV5)
Chemical Name	Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-
IUPAC Name	3-(bromomethyl)-5-chloro-1-benzothiophene
InChI	InChI=1S/C9H6BrClS/c10-4-6-5-12-9-2-1-7(11)3-8(6)9/h1-3,5H,4H2
InChI Key	FKQSFVITUNJLCY-UHFFFAOYSA-N
MDL Number	MFCD00173769
Molecular Formula	C9H6BrClS
Molecular Weight	261.5659
SMILES	C1=C(Cl)C=CC2=C1C(=CS2)CBr
Synonyms	3-(Bromomethyl)-5-chlorobenzo[b]thiophene, 1198-51-2, 3-(Bromomethyl)-5-chloro-1-benzothiophene, 3-(bromomethyl)-5-chloro benzo[b]thiophene, 3-(bromomethyl)-5-chlorobenzothiophene, 3-Bromomethyl-5-chlorobenzo[b]thiophene, 5-chloro-3-bromomethylbenzothiophene, Benzo[b]thiophene, 3-(bromomethyl)-5-chloro-, AK-28740, 5-chloro-3-bromomethyl-benzo[b]-thiophene, 3-(bromomethyl)-5-chlorobenzo(b)thiophene, AC1MCWHP, PubChem13553, AC1Q3KNS, ACMC-209a4k, KSC491I6B, SCHEMBL246112, CTK3J1460, DTXSID90381577, FKQSFVITUNJLCY-UHFFFAOYSA-N, ZINC162017, KS-00000D3M, ZX-AT005335, 3-bromomethyl-5-chlorobenzothiophene, ANW-17394, MFCD00173769, SBB054948, STL185587, AKOS015919000, AC-4585, CB-1553, CS-W002469, FCH1322908, MCULE-4809695755, OR26008, QC-7344, RP29314, RTC-061668, TRA0027603, VT20178, 3-(bromomethyl)-5-chloro-benzothiophene, 3-bromomethyl-5-chloro-benzo[b]thiophene, AJ-15873, AN-11859, BC003771, BR-28740, CC-12617, CJ-02029, DS-11135, FS002049, SC-15252, SY018638, U274, ZB007776, AB0019181, AX8011479, DB-021696, ST2410376, TC-061668, TL8006896, 4CH-007042, B3147, FT-0613723, (5-chlorobenzo[b]thiophen-3-yl)methylbromide, (5-chlorobenzo[b]-thiophen-3-yl)methylbromide, B-6611, 198B512, C-16335, J-510825, S09-0088, C9H6BrClS, 2-Methoxy-5-fluorouracil, RW1362, ZINC00162017, CID2779857, A2494, 3-(Bromomethyl)-5-chlorobenzothiophene, 97% - 1G 1g,

Complexity	165
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	259.906g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	261.561g/mol
Monoisotopic Mass	259.906g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
Signal Words	warning
UN Code	UN 3261

Certificate of Analysis

Lot Number