AG003EVE

40133-22-0 | 2-(4-Bromophenyl)thiophene

AG003EVE

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CAS Number	40133-22-0
Catalog Number	AG003EVE(AGN-PC-0LW82O)
Chemical Name	2-(4-Bromophenyl)thiophene
IUPAC Name	2-(4-bromophenyl)thiophene
InChI	InChI=1S/C10H7BrS/c11-9-5-3-8(4-6-9)10-2-1-7-12-10/h1-7H
InChI Key	XKOJJKOSNQXQGP-UHFFFAOYSA-N
MDL Number	MFCD05664340
Molecular Formula	C10H7BrS
Molecular Weight	239.1316
SMILES	Brc1ccc(cc1)c1cccs1
Synonyms	2-(4-Bromophenyl)thiophene, 40133-22-0, Thiophene,2-(4-bromophenyl)-, AK-35037, ACMC-1AQSR, 2-(p-bromophenyl)thiophene, 2-(4-bromo-phenyl)-thiophene, SCHEMBL1310724, CTK4I2498, KS-00003GZS, Thiophene, 2-(4-bromophenyl)-, DTXSID20426985, 1-Bromo-4-(thien-2-yl)benzene, XKOJJKOSNQXQGP-UHFFFAOYSA-N, 2-(4-Bromophenyl)thiophene, 97%, ZINC2548310, ZX-AT010160, ANW-59484, MFCD05664340, OR1416, SBB099062, AKOS005067258, AS-5358, CB-4134, FCH1326674, RP05811, VT20064, AJ-39513, CC-05751, AX8000382, DB-019436, TC-148229, FT-0639612, W9929, A824926, C-14263, I09-3045, J-505923, C10H7BrS, ZINC02548310, CID7018298, B5106,

Complexity	141
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.945g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	239.13g/mol
Monoisotopic Mass	237.945g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	9
Hazard statements	H302-H315-H319-H332-H335
Packing Group	Ⅲ
Precautionary statements	P261-P280-P305+P351+P338
UN Code	UN 3335

Certificate of Analysis

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