AG0032XI

6287-82-7 | 2,3-Dibromobenzo[b]thiophene

AG0032XI

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CAS Number	6287-82-7
Catalog Number	AG0032XI(AGN-PC-0JM106)
Chemical Name	2,3-Dibromobenzo[b]thiophene
IUPAC Name	2,3-dibromo-1-benzothiophene
InChI	InChI=1S/C8H4Br2S/c9-7-5-3-1-2-4-6(5)11-8(7)10/h1-4H
InChI Key	TWZSIAFEFBKCNN-UHFFFAOYSA-N
MDL Number	MFCD06798119
Molecular Formula	C8H4Br2S
Molecular Weight	291.9904
NSC Number	12000
SMILES	Brc1c(Br)sc2c1cccc2
Synonyms	2,3-Dibromobenzo[b]thiophene, 6287-82-7, 2,3-Dibromobenzothiophene, 2,3-Dibromothianaphthene, 2,3-dibromo-1-benzothiophene, Benzo(b)thiophene, 2,3-dibromo-, AK101330, C8H4Br2S, dibromobenzothiophene, NSC12000, NSC 12000, ACMC-20a77x, AC1L3TB6, SCHEMBL309376, CTK8B8405, DTXSID60212041, TWZSIAFEFBKCNN-UHFFFAOYSA-N, ZINC1641232, ANW-60283, MFCD06798119, NSC-12000, STL443920, 2,3-Dibromobenzo[b]thiophene, 97%, AKOS015888997, CS-W005898, DS-3697, FCH1382446, KS-00000Q61, AJ-28616, SY076565, 2 3-DIBROMOBENZO(B)THIOPHENE 97, AX8232869, TC-149028, ST24038513, Z0741, MFCD06798119 (98%), Q-7015, I01-17440, C8-H4-Br2-S, CID94977, 2,3-Dibromobenzothiophene, 97% - 1G 1g,

Complexity	151
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	291.838g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	291.988g/mol
Monoisotopic Mass	289.84g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H317-H319
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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