AG00CMHM

351003-50-4 | 4-Bromo-2,6-dimethylbenzene-1-sulfonyl chloride

AG00CMHM

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CAS Number	351003-50-4
Catalog Number	AG00CMHM(AGN-PC-0WCSFK)
Chemical Name	4-Bromo-2,6-dimethylbenzene-1-sulfonyl chloride
IUPAC Name	4-bromo-2,6-dimethylbenzenesulfonyl chloride
InChI	InChI=1S/C8H8BrClO2S/c1-5-3-7(9)4-6(2)8(5)13(10,11)12/h3-4H,1-2H3
InChI Key	VTPRHRFUFYYYRR-UHFFFAOYSA-N
MDL Number	MFCD03094653
Molecular Formula	C8H8BrClO2S
Molecular Weight	283.5699
SMILES	O=S(C1=C(C)C=C(Br)C=C1C)(Cl)=O
Synonyms	4-bromo-2,6-dimethylbenzene-1-sulfonyl chloride, 351003-50-4, 4-Bromo-2,6-dimethylbenzenesulphonyl chloride, 4-bromo-2,6-dimethylbenzenesulfonyl chloride, AC1MC7CX, 4-bromo-2,6-dimethyl-benzenesulfonyl Chloride, AC1Q2HK9, SCHEMBL3440241, CTK6B4272, VTPRHRFUFYYYRR-UHFFFAOYSA-N, MFCD03094653, ZINC95707666, AKOS009158378, AM87747, NE56987, EN300-53366, CID2737468,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	281.912g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	283.564g/mol
Monoisotopic Mass	281.912g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3265

Certificate of Analysis

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