AG003A9D

97511-05-2 | 4-Bromodibenzothiophene

AG003A9D

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CAS Number	97511-05-2
Catalog Number	AG003A9D(AGN-PC-0JRGLB)
Chemical Name	4-Bromodibenzothiophene
IUPAC Name	4-bromodibenzothiophene
InChI	InChI=1S/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7H
InChI Key	GJXAVNQWIVUQOD-UHFFFAOYSA-N
MDL Number	MFCD02683746
Molecular Formula	C12H7BrS
Molecular Weight	263.1530
SMILES	BrC1=CC=CC2=C1SC1=C2C=CC=C1
Synonyms	4-Bromodibenzothiophene, 4-bromodibenzo[b,d]thiophene, 97511-05-2, Dibenzothiophene,4-bromo-, Dibenzothiophene, 4-bromo-, GEO-02665, AK110516, W-200538, 4-Bromodibenzo[b,d]thiophene;Dibenzothiophene, 4-romo-, 4-bromo-Dibenzothiophene, AC1L9Y9U, SCHEMBL232632, dibenzo[b,d]thiophene, 4-bromo-, DTXSID50332505, GJXAVNQWIVUQOD-UHFFFAOYSA-N, ZINC2583661, MFCD02683746, AKOS016008829, CB-3679, CS-W022120, DS-4628, FCH1334446, QC-1516, RL06093, VT20280, KS-00000O05, AJ-43266, BC005174, SC-51456, SY030030, AX8095234, DB-028760, 4CH-024447, B4449, FT-0699275, ST24043487, Y5819, MFCD02683746 (95%), Q-7056, InChI=1/C12H7BrS/c13-10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h1-7, C12H7BrS, AIDS018354, CID458352, ACN-028552, A11233,

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	5.1

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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