AG000PIV

1197193-21-7 | Benzenamine, 4-fluoro-2-(methylsulfonyl)-

AG000PIV

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CAS Number	1197193-21-7
Catalog Number	AG000PIV(AGN-PC-09T3XZ)
Chemical Name	Benzenamine, 4-fluoro-2-(methylsulfonyl)-
IUPAC Name	4-fluoro-2-methylsulfonylaniline
InChI	InChI=1S/C7H8FNO2S/c1-12(10,11)7-4-5(8)2-3-6(7)9/h2-4H,9H2,1H3
InChI Key	LKNIYDMDXQVUQA-UHFFFAOYSA-N
MDL Number	MFCD13191582
Molecular Formula	C7H8FNO2S
Molecular Weight	189.2073
SMILES	NC1=CC=C(F)C=C1S(=O)(C)=O
Synonyms	4-FLUORO-2-(METHYLSULFONYL)ANILINE, 1197193-21-7, 4-fluoro-2-(methylsulfonyl)Benzenamine, ACMC-209a3v, SCHEMBL14433133, CTK8A9403, 4-fluoro-2-methanesulfonylaniline, DTXSID80700197, KS-000009TX, 4-Fluoro-2-(methanesulfonyl)aniline, ANW-17369, MFCD13191582, ZINC42684432, AKOS011664609, TRA0038124, AS-31914, SY006509, AB0060535, AJ-104579, Benzenamine, 4-fluoro-2-(methylsulfonyl)-, DB-057959, TC-106114, FT-0750729, Z8113, B-6600, MFCD13191582 (97+%), C7H8FNO2S,

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	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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