AG00ACD5

170859-70-8 | 4-Bromo-2-(chloromethyl)thiophene

AG00ACD5

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CAS Number	170859-70-8
Catalog Number	AG00ACD5(AGN-PC-03NFNQ)
Chemical Name	4-Bromo-2-(chloromethyl)thiophene
IUPAC Name	4-bromo-2-(chloromethyl)thiophene
InChI	InChI=1S/C5H4BrClS/c6-4-1-5(2-7)8-3-4/h1,3H,2H2
InChI Key	JOPVYZZZKLTMMD-UHFFFAOYSA-N
MDL Number	MFCD11040395
Molecular Formula	C5H4BrClS
Molecular Weight	211.5073
SMILES	ClCC1=CC(Br)=CS1
Synonyms	4-Bromo-2-(chloromethyl)thiophene, 170859-70-8, 4-Bromo-2-chloromethyl-thiophene, Thiophene, 4-bromo-2-(chloromethyl)-, C5H4BrClS, SCHEMBL1769053, CTK0E4773, DTXSID80624425, 8780AA, MFCD11040395, ZINC20475277, AKOS009260910, AJ-77788, AS-48260, DA-43535, FT-0730337, ST24043355, C-0275, F8882-1685,

Complexity	78.8
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	209.891g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	211.501g/mol
Monoisotopic Mass	209.891g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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