AG008RKE

1187595-85-2 | 2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile

AG008RKE

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CAS Number	1187595-85-2
Catalog Number	AG008RKE(AGN-PC-0WANI9)
Chemical Name	2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitrile
IUPAC Name	2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile
InChI	InChI=1S/C7H10N2O2S/c1-2-12(10,11)9-5-7(6-9)3-4-8/h3H,2,5-6H2,1H3
InChI Key	HQUIOHSYUKWGOM-UHFFFAOYSA-N
MDL Number	MFCD22987586
Molecular Formula	C7H10N2O2S
Molecular Weight	186.2315
SMILES	N#CC=C1CN(S(=O)(CC)=O)C1
Synonyms	1187595-85-2, 2-(1-(ethylsulfonyl)azetidin-3-ylidene)acetonitrile, 2-[1-(ethanesulfonyl)azetidin-3-ylidene]acetonitrile, 2-[1-(Ethylsulfonyl)-3-azetidinylidene]acetonitrile, [1-(Ethylsulfonyl)azetidin-3-ylidene]acetonitrile, AK165316, SCHEMBL871344, HQUIOHSYUKWGOM-UHFFFAOYSA-N, BCP13973, CS-M2446, KS-000005MI, 3147AH, MFCD22987586, AKOS025146561, ZINC114741608, DS-8954, FCH2310089, AC-30033, SC-69847, FT-0744137, (1-Ethanesulfonyl-azetidin-3-ylidene)-acetonitrile, 2-(1-ethylsulfonylazetidin-3-ylidene)acetonitrile, 2-(1-(Ethylsulfonyl)azetidin-3-ylidene)acetonitril, Acetonitrile, 2-[1-(ethylsulfonyl)-3-azetidinylidene]-, C7H10N2O2S, (1-Ethanesulfonyl-azetidin-3-ylidene)-acetonitrile - 1G 1g,

Complexity	333
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.046g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	186.229g/mol
Monoisotopic Mass	186.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	69.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302
Packing Group
Precautionary statements	P280-P305+P351+P338
UN Code

Certificate of Analysis

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