AG003LL8

98995-40-5 | 4-Isopropoxybenzene-1-sulfonyl chloride

AG003LL8

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CAS Number	98995-40-5
Catalog Number	AG003LL8(AGN-PC-03O247)
Chemical Name	4-Isopropoxybenzene-1-sulfonyl chloride
IUPAC Name	4-propan-2-yloxybenzenesulfonyl chloride
InChI	InChI=1S/C9H11ClO3S/c1-7(2)13-8-3-5-9(6-4-8)14(10,11)12/h3-7H,1-2H3
InChI Key	IJWCRHKAQNFJLT-UHFFFAOYSA-N
MDL Number	MFCD03093083
Molecular Formula	C9H11ClO3S
Molecular Weight	234.6998
SMILES	O=S(C1=CC=C(OC(C)C)C=C1)(Cl)=O
Synonyms	98995-40-5, 4-Isopropoxybenzenesulfonyl chloride, 4-Isopropoxybenzene-1-sulfonyl chloride, 4-(propan-2-yloxy)benzene-1-sulfonyl chloride, Benzenesulfonyl chloride, 4-(1-methylethoxy)-, 4-Isopropoxyphenylsulfonyl Chloride, 4-Isopropoxybenzenesulphonyl chloride, MFCD03093083, 4-Isopropoxybenzenesulfonylchloride, PubChem19078, ACMC-209sbk, SCHEMBL344199, benzenesulfonyl chloride, 4-(1-methylethoxy)- (9ci), CTK1G9322, KS-00000KTX, DTXSID80624849, IJWCRHKAQNFJLT-UHFFFAOYSA-N, ACT09365, 4-isopropoxy benzenesulfonyl chloride, 4-Isopropoxy-benzenesulfonyl chloride, ANW-40974, SBB016893, chloro[4-(methylethoxy)phenyl]sulfone, AKOS000159598, ZINC100004087, LS11847, MCULE-2288035827, NE19180, QC-9046, RTC-062040, AC-29210, AN-34559, AS-17577, 4-(1-methylethoxy)benzenesulfonyl chloride, ST2405846, TC-062040, FT-0618821, I0802, V0779, 4-[(Propan-2-yl)oxy]benzene-1-sulfonyl chloride, 995I405, I01-9758, S01-0278, F1974-0027, 4-isopropoxybenzene-1-sulfonyl chloride;4-(1-methylethoxy)-Benzenesulfonylchloride, C9H11ClO3S, ACN-S002142, tert-butyl 3-oxopiperidine-1-carboxylate, A11314, 4-Isopropoxybenzenesulfonyl chloride, 97.5% - 1G 1g, 54997-90-9,

Complexity	260
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	234.012g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	234.694g/mol
Monoisotopic Mass	234.012g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314-H318
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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