AG003GQD

172514-63-5 | 2-BroMo-5-n-octylthiophene

AG003GQD

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CAS Number	172514-63-5
Catalog Number	AG003GQD(AGN-PC-00P907)
Chemical Name	2-BroMo-5-n-octylthiophene
IUPAC Name	2-bromo-5-octylthiophene
InChI	InChI=1S/C12H19BrS/c1-2-3-4-5-6-7-8-11-9-10-12(13)14-11/h9-10H,2-8H2,1H3
InChI Key	USLMRHXOAXBGCS-UHFFFAOYSA-N
MDL Number	MFCD20265580
Molecular Formula	C12H19BrS
Molecular Weight	275.2483
SMILES	c1cc(sc1Br)CCCCCCCC
Synonyms	2-Bromo-5-n-octylthiophene, 2-bromo-5-octylthiophene, 172514-63-5, ACMC-209e4r, SCHEMBL3076471, CTK4D4252, DTXSID50572803, USLMRHXOAXBGCS-UHFFFAOYSA-N, ANW-22585, MFCD20265580, ZINC59159749, AKOS015835077, TR-035910, B3738, FT-0706966, I09-3383,

Complexity	138
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	274.039g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	275.248g/mol
Monoisotopic Mass	274.039g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	6.5

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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