AG008J4X

827343-08-8 | Thiophene, 2-bromo-3-hexadecyl-

AG008J4X

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CAS Number	827343-08-8
Catalog Number	AG008J4X(AGN-PC-0ID816)
Chemical Name	Thiophene, 2-bromo-3-hexadecyl-
IUPAC Name	2-bromo-3-hexadecylthiophene
InChI	InChI=1S/C20H35BrS/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-17-18-22-20(19)21/h17-18H,2-16H2,1H3
InChI Key	GOHORSZVGYZIGO-UHFFFAOYSA-N
MDL Number	MFCD30742896
Molecular Formula	C20H35BrS
Molecular Weight	387.4609
SMILES	CCCCCCCCCCCCCCCCC1=C(Br)SC=C1
Synonyms	2-bromo-3-hexadecylthiophene, 827343-08-8, SCHEMBL5147986, CTK3D6836, DTXSID50740247, Thiophene, 2-bromo-3-hexadecyl-, B5409,

Complexity	232
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	386.164g/mol
Formal Charge	0
Heavy Atom Count	22
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	387.464g/mol
Monoisotopic Mass	386.164g/mol
Rotatable Bond Count	15
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	11

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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