AG002YP6

29540-81-6 | 1H-Imidazole, 1-[(trifluoromethyl)sulfonyl]-

AG002YP6

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CAS Number	29540-81-6
Catalog Number	AG002YP6(AGN-PC-0JM2F3)
Chemical Name	1H-Imidazole, 1-[(trifluoromethyl)sulfonyl]-
EC Number	249-686-5
IUPAC Name	1-(trifluoromethylsulfonyl)imidazole
InChI	InChI=1S/C4H3F3N2O2S/c5-4(6,7)12(10,11)9-2-1-8-3-9/h1-3H
InChI Key	YGABUCCNCBMODG-UHFFFAOYSA-N
MDL Number	MFCD00037891
Molecular Formula	C4H3F3N2O2S
Molecular Weight	200.1390
SMILES	O=S(N1C=NC=C1)(C(F)(F)F)=O
Synonyms	29540-81-6, 1-(Trifluoromethanesulfonyl)imidazole, 1-((Trifluoromethyl)sulfonyl)-1H-imidazole, 1-(trifluoromethanesulphonyl)imidazole, 1-(Trifluoromethylsulfonyl)imidazole, n-trifluoromethanesulfonyl imidazole, 1-[(Trifluoromethyl)sulfonyl]-1H-imidazole, 1-((Trifluoromethyl)sulphonyl)-1H-imidazole, 1H-Imidazole, 1-[(trifluoromethyl)sulfonyl]-, N-Trifluoromethanesulfonylimidazole, YGABUCCNCBMODG-UHFFFAOYSA-N, 1-(trifluoromethylsulfonyl)-1H-imidazole, 1-[(trifluoromethyl)sulphonyl]-1h-imidazole, trifluoro(imidazolylsulfonyl)methane, C4H3F3N2O2S, EINECS 249-686-5, NSC270680, PubChem6485, AC1L3Y8C, AC1Q6VK0, SCHEMBL79216, CTK4G3460, Trifluoromethanesulfonyl imidazole, DTXSID00183726, ZINC6490857, ZX-AP006325, FCH931398, MFCD00037891, NSC114260, SBB092563, 1-(trifluoromethanesulfonyl) imidazole, AKOS006223430, 1-trifluoromethanesulfonyl-1H-imidazole, FS-1138, MCULE-3843727452, NSC-114260, NSC-270680, ACM29540816, CJ-13000, 1H-imidazol-1-yl trifluoromethanesulfonate, 1H-Imidazole, 1-(trifluoromethylsulfonyl)-, 1H-Imidazole,1-[(trifluoromethyl)sulfonyl]-, FT-0605883, ST51006001, V4978, 1-[(Trifluoromethyl)sulfonyl]-1H-imidazole #, K-7176, 1-[(Trifluoromethyl)sulphonyl]-1H-imidazole 97%, C-48426, J-017555, potassium,1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate, 1-(Trifluoromethanesulfonyl)imidazole, technical, >=95.0% (RT), 1- imidazole, KST-1B2877, CID97300, C4-H3-F3-N2-O2-S, AR-1B8848, H075, T3177, 30342-63-3, 29420-49-3,

Complexity	255
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	199.987g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	200.135g/mol
Monoisotopic Mass	199.987g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	60.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.9

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1
Hazard statements	H315-H319-H227
Packing Group	Ⅲ
Precautionary statements	P501-P210-P264-P280-P302+P352-P370+P378-P337+P313-P305+P351+P338-P362+P364-P332+P313-P403+P235
UN Code	UN 2810

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