AG00ECA5

58236-74-1 | 3-Bromobenzylsulfonyl chloride

AG00ECA5

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CAS Number	58236-74-1
Catalog Number	AG00ECA5(AGN-PC-0SPFDE)
Chemical Name	3-Bromobenzylsulfonyl chloride
IUPAC Name	(3-bromophenyl)methanesulfonyl chloride
InChI	InChI=1S/C7H6BrClO2S/c8-7-3-1-2-6(4-7)5-12(9,10)11/h1-4H,5H2
InChI Key	VCGKEAIINMDLMC-UHFFFAOYSA-N
MDL Number	MFCD06798043
Molecular Formula	C7H6BrClO2S
Molecular Weight	269.5433
SMILES	ClS(=O)(=O)CC1=CC(Br)=CC=C1
Synonyms	(3-bromophenyl)methanesulfonyl Chloride, 58236-74-1, 3-Bromobenzylsulfonyl Chloride, (3-Bromophenyl)methanesulphonyl chloride, Benzenemethanesulfonylchloride, 3-bromo-, benzenemethanesulfonyl chloride, 3-bromo-, AC1MC4ZA, AC1Q3VP8, 3-bromobenzylsulphonyl chloride, SCHEMBL1118911, CTK5A8049, DTXSID70375777, VCGKEAIINMDLMC-UHFFFAOYSA-N, 8627AB, ANW-71604, MFCD06798043, ZINC95696946, AKOS010077456, (3-Bromophenyl)methylsulphonyl chloride, VZ26504, AS-54553, SC-14165, 3-bromobenzylsulfonyl chloride, AldrichCPR, DB-022380, ST2402323, TC-160349, 4CH-017309, FT-0084585, FT-0640515, S-7937, A831796, I01-9042, C7H6BrClO2S, 3-BROMOBENZYLSULFONYLCHLORIDE, CID2761451,

Complexity	234
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.896g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.537g/mol
Monoisotopic Mass	267.896g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H312-H314-H332
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

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