AG003KC2

473-27-8 | 4-((Trifluoromethyl)sulfonyl)aniline

AG003KC2

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CAS Number	473-27-8
Catalog Number	AG003KC2(AGN-PC-0JMOSC)
Chemical Name	4-((Trifluoromethyl)sulfonyl)aniline
IUPAC Name	4-(trifluoromethylsulfonyl)aniline
InChI	InChI=1S/C7H6F3NO2S/c8-7(9,10)14(12,13)6-3-1-5(11)2-4-6/h1-4H,11H2
InChI Key	GNVFCXUZQGCXPB-UHFFFAOYSA-N
MDL Number	MFCD00182685
Molecular Formula	C7H6F3NO2S
Molecular Weight	225.1882
SMILES	NC1=CC=C(S(=O)(C(F)(F)F)=O)C=C1
Synonyms	473-27-8, 4-(Trifluoromethylsulfonyl)aniline, 4-Aminophenyl trifluoromethyl sulphone, 4-((Trifluoromethyl)sulfonyl)aniline, 4-[(trifluoromethyl)sulfonyl]aniline, 4-Aminophenyl trifluoromethyl sulfone, 4-trifluoromethanesulfonylaniline, GNVFCXUZQGCXPB-UHFFFAOYSA-N, 4-(trifluoromethylsulphonyl)aniline, 4-[(Trifluoromethyl)sulfonyl]phenylamine, 4-Triflylaniline, ACMC-20amtk, ChemDiv3_000104, AC1Q51WI, SCHEMBL479304, p-trifluoromethylsulfonylaniline, 4-trifluoromethylsulfonylaniline, AC1L388I, 4-trifluoromethylsulphonylaniline, CTK8C5904, 4-trifluoromethanesulfonyl aniline, 4-trifluoromethanesulfonyl-aniline, DTXSID20197087, p-(Trifluoromethylsulfonyl)aniline, HMS1473E16, ZINC158190, 4-(trifluoromethanesulfonyl)aniline, 4-trifluoromethylsulfonyl-phenylamine, MFCD00182685, SBB096799, 4-(trifluoromethylsulfonyl)benzenamine, 4-[(Trifluoromethyl)sulphonyl]aniline, 4-trifluoromethanesulfonyl-phenylamine, AKOS001288399, MCULE-4504255330, PS-7777, VZ28322, IDI1_019422, KS-00003R56, 4-(Trifluoromethylsulfonyl)aniline, 95%, NCGC00180467-01, AJ-15164, CJ-01736, SC-58384, SY129310, ZB006848, {4-[(trifluoromethyl)sulfonyl]phenyl}amine, 4-[(Trifluoromethyl)sulfonyl]phenylamine #, Benzenamine,4-[(trifluoromethyl)sulfonyl]-, TC-169247, EU-0033573, FT-0602603, FT-0617594, V6084, EN300-38966, MFCD00182685 (95%), K-9115, A827185, SR-01000390069, SR-01000390069-1, BRD-K92192552-001-01-9, I14-50216, F0345-0177, C7H6F3NO2S, CID136315,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	225.007g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	225.185g/mol
Monoisotopic Mass	225.007g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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