AG006Q80

65642-94-6 | Dibenzothiophene, 1-bromo-

AG006Q80

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CAS Number	65642-94-6
Catalog Number	AG006Q80(AGN-PC-00EA8Z)
Chemical Name	Dibenzothiophene, 1-bromo-
IUPAC Name	1-bromodibenzothiophene
InChI	InChI=1S/C12H7BrS/c13-9-5-3-7-11-12(9)8-4-1-2-6-10(8)14-11/h1-7H
InChI Key	JESBGFNZNSEZMR-UHFFFAOYSA-N
MDL Number	MFCD18451629
Molecular Formula	C12H7BrS
Molecular Weight	263.1530
SMILES	BrC1=C(C2=CC=CC=C2S3)C3=CC=C1
Synonyms	1-bromodibenzothiophene, 65642-94-6, Dibenzothiophene, 1-bromo-, 1-Bromodibenzo[b,d]thiophene, SCHEMBL7912643, CTK1J6148, DTXSID80470742, ZINC38264597, SC-19668, CID11694591,

Complexity	218
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	261.945g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	263.152g/mol
Monoisotopic Mass	261.945g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H315-H319-H335
Packing Group	\N
Precautionary statements	P261-P305+P351+P338
UN Code	\N

Certificate of Analysis

Lot Number