AG001YYE

17347-32-9 | Benzo[b]thiophene, 6-bromo-

AG001YYE

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CAS Number	17347-32-9
Catalog Number	AG001YYE(AGN-PC-0NK41V)
Chemical Name	Benzo[b]thiophene, 6-bromo-
IUPAC Name	6-bromo-1-benzothiophene
InChI	InChI=1S/C8H5BrS/c9-7-2-1-6-3-4-10-8(6)5-7/h1-5H
InChI Key	OQIMJOXSDVGEBU-UHFFFAOYSA-N
MDL Number	MFCD11226847
Molecular Formula	C8H5BrS
Molecular Weight	213.0943
SMILES	BrC2=CC1=C(C=CS1)C=C2
Synonyms	6-Bromobenzo[b]thiophene, 17347-32-9, 6-BROMOBENZOTHIOPHENE, 6-bromo-1-benzothiophene, 6-Bromo-benzo[b]thiophene, BENZO[B]THIOPHENE, 6-BROMO-, 6-bromobenzo(b)thiophene, 6-bromanyl-1-benzothiophene, SCHEMBL405354, 6-Bromobenzo[b]thiophene, 97%, CTK3J7193, DTXSID20508710, OQIMJOXSDVGEBU-UHFFFAOYSA-N, BCP04573, CS-D0500, ANW-41232, BBL100944, GEO-00391, MFCD11226847, STL554738, ZINC15042995, AKOS005256444, AS06370, CM10504, HT21445, MB09702, QC-5969, RP26740, RTR-007676, TRA0073391, AJ-67182, AK-27128, BR-27128, CJ-15081, DS-11025, EN000616, SC-22016, SY029162, AB0022847, AB1004300, ST2412246, TR-007676, 4CH-008793, B5523, FT-0648442, M0262, W3787, MFCD11226847 (97%), S-5255, 347B329, A811517, I09-0317, W-200166, W-200390, Z1741974899, null, C8H5BrS, 5-BROMOBENZO[B]THIOPHENE, ACN-044603, C2307,

Complexity	126
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	211.93g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	213.092g/mol
Monoisotopic Mass	211.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard statements	H302-H319-H413
Precuationary statements	P305+P351+P338
Siginal words

Certificate of Analysis

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