AG00AM2K

19437-86-6 | 2-(p-Bromophenyl)-benzo[b]thiophene

AG00AM2K

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CAS Number	19437-86-6
Catalog Number	AG00AM2K(AGN-PC-0BXBYI)
Chemical Name	2-(p-Bromophenyl)-benzo[b]thiophene
IUPAC Name	2-(4-bromophenyl)-1-benzothiophene
InChI	InChI=1S/C14H9BrS/c15-12-7-5-10(6-8-12)14-9-11-3-1-2-4-13(11)16-14/h1-9H
InChI Key	IJDKRWVYXSAROY-UHFFFAOYSA-N
MDL Number	MFCD22380322
Molecular Formula	C14H9BrS
Molecular Weight	289.1903
SMILES	BrC1=CC=C(C2=CC3=CC=CC=C3S2)C=C1
Synonyms	2-(4-Bromophenyl)benzo[b]thiophene, 19437-86-6, 2-(p-bromophenyl)benzo[b]thiophene, SCHEMBL1774169, 2-(4-bromophenyl)-1-benzothiophene, 2-(p-Bromophenyl)-benzo[b]thiophene, MFCD22380322, ZINC95628600, AKOS024259284, DA-08671, AJ-133053, AX8288081, FT-0719919, B5016,

Complexity	235
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	287.961g/mol
Formal Charge	0
Heavy Atom Count	16
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	289.19g/mol
Monoisotopic Mass	287.961g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	5.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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