AG00C74F

342422-23-5 | 3-Methyl-5-nitrophenylsulfonyl chloride

AG00C74F

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CAS Number	342422-23-5
Catalog Number	AG00C74F(AGN-PC-0O947A)
Chemical Name	3-Methyl-5-nitrophenylsulfonyl chloride
IUPAC Name	3-methyl-5-nitrobenzenesulfonyl chloride
InChI	InChI=1S/C7H6ClNO4S/c1-5-2-6(9(10)11)4-7(3-5)14(8,12)13/h2-4H,1H3
InChI Key	NASIURWVNGTWSQ-UHFFFAOYSA-N
MDL Number	MFCD09737481
Molecular Formula	C7H6ClNO4S
Molecular Weight	235.6448
SMILES	O=S(C1=CC([N+]([O-])=O)=CC(C)=C1)(Cl)=O
Synonyms	342422-23-5, 3-METHYL-5-NITROPHENYLSULFONYL CHLORIDE, 3-Methyl-5-nitrobenzene-1-sulfonyl chloride, PubChem11262, CTK1C1700, DTXSID40496483, AKOS000147802, ZINC100249146, AB51109, 3-methyl-5-nitrobenzenesulfonyl chloride, 3-methyl-5-nitro-benzenesulfonyl chloride, Benzenesulfonylchloride, 3-methyl-5-nitro-, DB-068952, FT-0729788, A822131, 3-Methyl-5-nitrophenylsulfonylchloride,

Complexity	318
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.971g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	235.638g/mol
Monoisotopic Mass	234.971g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	88.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	\N
Hazard statements	H302-H319
Packing Group	\N
Precautionary statements	P305+P351+P338
UN Code	\N

Certificate of Analysis

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