AG003H94

832755-13-2 | 2-Fluoro-4-(methylsulfonyl)aniline

AG003H94

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CAS Number	832755-13-2
Catalog Number	AG003H94(AGN-PC-0KL2BH)
Chemical Name	2-Fluoro-4-(methylsulfonyl)aniline
IUPAC Name	2-fluoro-4-methylsulfonylaniline
InChI	InChI=1S/C7H8FNO2S/c1-12(10,11)5-2-3-7(9)6(8)4-5/h2-4H,9H2,1H3
InChI Key	UGUIBNHHDIEZJI-UHFFFAOYSA-N
MDL Number	MFCD06800756
Molecular Formula	C7H8FNO2S
Molecular Weight	189.2073
SMILES	FC1=C(N)C=CC(=C1)[S](=O)(=O)C
Synonyms	2-fluoro-4-(methylsulfonyl)aniline, 832755-13-2, 2-fluoro-4-methanesulfonylaniline, 2-fluoro-4-(methylsulfonyl)phenylamine, 2-fluoro-4-(methylsulphonyl)aniline, 2-fluoro-4-(methylsulfonyl)benzenamine, 2-fluoro-4-methylsulfonylaniline, 2-Fluoro-4-methylsulfonyl aniline, 2-fluoro-4-methylsulfonyl-aniline, 4-Amino-3-fluorophenyl methyl sulphone, Benzenamine, 2-fluoro-4-(methylsulfonyl)-, 1-Amino-2-fluoro-4-(methylsulphonyl)benzene, PubChem19626, AC1MD4EW, SCHEMBL221279, CTK5F0562, DTXSID10382627, UGUIBNHHDIEZJI-UHFFFAOYSA-N, BDBM108236, ACN-S003598, ZINC1529134, ANW-51693, MFCD06800756, SBB090940, 2-fluoro-4-methanesulfonyl-phenylamine, AKOS005064094, AS05380, BH-0405, CM11472, CS-W003354, MCULE-3061586810, RP24904, RTR-025947, TRA0077544, 2-fluoro-4-(methanesulfonyl)benzenamine, 2-fluoro-4-(methylsulphonyl)aniline 99%, AC-22912, AJ-26569, AK-36497, AN-27200, Benzenamine,2-fluoro-4-(methylsulfonyl)-, BR-36497, CJ-05161, CJ-23854, EN000910, SC-20281, SY001022, AB0026906, AB1001138, DB-024473, ST2409981, TR-025947, AM20060953, FT-0649932, W8661, A24584, C-6120, MFCD06800756 (97+%), 755F132, 3S106119, I01-9996, J-509389, 2‐fluoro‐4‐methanesulfonylaniline (Hit 4), null, C7H8FNO2S, ZINC01529134, CID2783385,

Complexity	247
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.026g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	189.204g/mol
Monoisotopic Mass	189.026g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	68.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	0.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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