AG000P8V

1196-09-4 | Benzo[b]thiophene, 5-bromo-3-methyl-

AG000P8V

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CAS Number	1196-09-4
Catalog Number	AG000P8V(AGN-PC-000MD1)
Chemical Name	Benzo[b]thiophene, 5-bromo-3-methyl-
IUPAC Name	5-bromo-3-methyl-1-benzothiophene
InChI	InChI=1S/C9H7BrS/c1-6-5-11-9-3-2-7(10)4-8(6)9/h2-5H,1H3
InChI Key	YSYLNZAFOPVZLP-UHFFFAOYSA-N
MDL Number	MFCD05664866
Molecular Formula	C9H7BrS
Molecular Weight	227.1209
SMILES	CC1=CSC2=CC=C(Br)C=C21
Synonyms	5-Bromo-3-methylbenzo[b]thiophene, 1196-09-4, 5-bromo-3-methyl-1-benzothiophene, 5-Bromo-3-methyl-benzo[b]thiophene, 5-bromo-3-methylbenzo[b]-thiophene, SCHEMBL788066, 5-bromo-3-methylbenzothiophene, CTK5I7990, DTXSID40556990, 5-bromo-3-methyl benzo thiophene, YSYLNZAFOPVZLP-UHFFFAOYSA-N, KS-00003SM4, ZINC2548706, 5-bromo-3-methyl benzo[b]thiophene, ANW-48378, MFCD05664866, SBB097094, SC2131, AKOS015842595, Benzo[b]thiophene, 5-bromo-3-methyl-, RP09516, AJ-39554, BR-77814, TS-00572, AB0035112, DB-031251, TC-063455, FT-0685771, ST24029391, X9386, 5-bromo-3-methylbenzo[b]thiophene, AldrichCPR, S-7460, I09-1782, W-205049, Z2492774627, C9H7BrS, A2484,

Complexity	149
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.945g/mol
Formal Charge	0
Heavy Atom Count	11
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	227.119g/mol
Monoisotopic Mass	225.945g/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
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number