AG001XDP

167404-32-2 | 4-Cyclopropylbenzene-1-sulfonyl chloride

AG001XDP

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CAS Number	167404-32-2
Catalog Number	AG001XDP(AGN-PC-03JN75)
Chemical Name	4-Cyclopropylbenzene-1-sulfonyl chloride
IUPAC Name	4-cyclopropylbenzenesulfonyl chloride
InChI	InChI=1S/C9H9ClO2S/c10-13(11,12)9-5-3-8(4-6-9)7-1-2-7/h3-7H,1-2H2
InChI Key	QCHUBTJEGZWBFJ-UHFFFAOYSA-N
MDL Number	MFCD09929602
Molecular Formula	C9H9ClO2S
Molecular Weight	216.6846
SMILES	ClS(C1=CC=C(C2CC2)C=C1)(=O)=O
Synonyms	4-Cyclopropylbenzene-1-sulfonyl chloride, 167404-32-2, 4-cyclopropylbenzenesulfonyl chloride, Benzenesulfonyl chloride, 4-cyclopropyl-, SCHEMBL3590458, CTK0A8694, DTXSID60622020, QCHUBTJEGZWBFJ-UHFFFAOYSA-N, p-cyclopropylbenzenesulfonyl chloride, 8536AA, MFCD09929602, p-cyclopropyl-benzenesulfonyl chloride, AKOS000172617, ZINC100026597, CS-W006970, DS-6141, AK119966, SC-52643, ST2405759, 4CH-017599, C9H9ClO2S,

Complexity	269
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.001g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.679g/mol
Monoisotopic Mass	216.001g/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	H314-H317
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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