AG00DHXW

53119-60-1 | 2-Bromo-4-methylthiophene

AG00DHXW

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CAS Number	53119-60-1
Catalog Number	AG00DHXW(AGN-PC-00O3N5)
Chemical Name	2-Bromo-4-methylthiophene
IUPAC Name	2-bromo-4-methylthiophene
InChI	InChI=1S/C5H5BrS/c1-4-2-5(6)7-3-4/h2-3H,1H3
InChI Key	WQCPSNAAWLHQAE-UHFFFAOYSA-N
MDL Number	MFCD12033287
Molecular Formula	C5H5BrS
Molecular Weight	177.0622
SMILES	CC1=CSC(Br)=C1
Synonyms	2-Bromo-4-methylthiophene, 53119-60-1, Thiophene, 2-bromo-4-methyl-, SCHEMBL1636901, CTK1E4067, DTXSID90550362, 7530AB, MFCD12033287, ZINC34161242, AKOS015943800, MCULE-1301546959, AJ-87240, DB-026926, B4273, FT-0717564, C5H5BrS,

Complexity	65.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	175.93g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	177.059g/mol
Monoisotopic Mass	175.93g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	28.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H227
Packing Group	Ⅲ
Precautionary statements	P210-P280-P403+P235-P501
UN Code	UN 1993

Certificate of Analysis

Lot Number