AG00C446

213130-43-9 | 3-Chloro-4-cyano-benzenesulfonyl chloride

AG00C446

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CAS Number	213130-43-9
Catalog Number	AG00C446(AGN-PC-01P6L8)
Chemical Name	3-Chloro-4-cyano-benzenesulfonyl chloride
IUPAC Name	3-chloro-4-cyanobenzenesulfonyl chloride
InChI	InChI=1S/C7H3Cl2NO2S/c8-7-3-6(13(9,11)12)2-1-5(7)4-10/h1-3H
InChI Key	HWCNCOCJCVWMBX-UHFFFAOYSA-N
MDL Number	MFCD09812743
Molecular Formula	C7H3Cl2NO2S
Molecular Weight	236.0752
SMILES	O=S(C1=CC=C(C#N)C(Cl)=C1)(Cl)=O
Synonyms	3-chloro-4-cyanobenzenesulfonyl chloride, 213130-43-9, 3-CHLORO-4-CYANOBENZENE-1-SULFONYL CHLORIDE, 3-Chloro-4-cyano-benzenesulfonyl chloride, EN300-41099, AC1Q3HFK, SCHEMBL1156201, CTK4E6421, DTXSID00592516, HWCNCOCJCVWMBX-UHFFFAOYSA-N, BBL102344, MFCD09812743, STL556144, AKOS000166506, ZINC100154133, AB52646, BBV-055654, FCH4647466, NE14502, ACM213130439, AK132912, BS-13772, Benzenesulfonyl chloride, 3-chloro-4-cyano-, J-013985,

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.926g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	236.066g/mol
Monoisotopic Mass	234.926g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	66.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H317-H319
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number