AG006J5P

930-42-7 | 4-Bromo-3-methylisothiazole

AG006J5P

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CAS Number	930-42-7
Catalog Number	AG006J5P(AGN-PC-03F55W)
Chemical Name	4-Bromo-3-methylisothiazole
IUPAC Name	4-bromo-3-methyl-1,2-thiazole
InChI	InChI=1S/C4H4BrNS/c1-3-4(5)2-7-6-3/h2H,1H3
InChI Key	IXHNFDZCYLIMQS-UHFFFAOYSA-N
MDL Number	MFCD11110311
Molecular Formula	C4H4BrNS
Molecular Weight	178.0503
SMILES	Brc1c(C)nsc1
Synonyms	4-bromo-3-methylisothiazole, 930-42-7, 4-BROMO-3-METHYL-ISOTHIAZOLE, 4-bromo-3-methyl-1,2-thiazole, isothiazole,4-bromo-3-methyl-, SCHEMBL2745575, CTK5H2050, DTXSID80617695, 5743AC, ANW-73979, FCH888986, MFCD11110311, ZINC39325977, AKOS006309278, NE63524, RP08203, AJ-99837, AK-94831, AS-30214, QC-10093, SC-68815, AB0003752, AX8227910, DB-079466, TC-162724, 4CH-002046, FT-0686041, ST24043429, J-514743, C4H4BrNS, ACN-044586,

Complexity	68.7
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.925g/mol
Formal Charge	0
Heavy Atom Count	7
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	178.047g/mol
Monoisotopic Mass	176.925g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number