AG019SEZ

1251087-10-1 | 4-Chloro-2-cyanobenzene-1-sulfonyl chloride

AG019SEZ

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CAS Number	1251087-10-1
Catalog Number	AG019SEZ
Chemical Name	4-Chloro-2-cyanobenzene-1-sulfonyl chloride
IUPAC Name	4-chloro-2-cyanobenzenesulfonyl chloride
InChI	InChI=1S/C7H3Cl2NO2S/c8-6-1-2-7(13(9,11)12)5(3-6)4-10/h1-3H
InChI Key	UJNSAHMCGIKGLS-UHFFFAOYSA-N
MDL Number	MFCD16769647
Molecular Formula	C7H3Cl2NO2S
Molecular Weight	236.0752
SMILES	ClC1=CC(C#N)=C(S(Cl)(=O)=O)C=C1
Synonyms	4-chloro-2-cyanobenzene-1-sulfonyl chloride, 1251087-10-1, 4-Chloro-2-cyanophenylsulfonyl chloride, EN300-93363, SCHEMBL19682467, MFCD16769647, AKOS011783710, ZINC100650307, FCH5332483, NE33976, 4-chloro-2-cyanobenzenesulfonyl chloride, BBV-34299679, BS-13866,

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	8
Hazard statements	H302-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 1759

Certificate of Analysis

Lot Number