AG002KAD

20951-14-8 | Benzene, 2-fluoro-1-methoxy-4-(methylsulfonyl)-

AG002KAD

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CAS Number	20951-14-8
Catalog Number	AG002KAD(AGN-PC-0BLCIZ)
Chemical Name	Benzene, 2-fluoro-1-methoxy-4-(methylsulfonyl)-
IUPAC Name	2-fluoro-1-methoxy-4-methylsulfonylbenzene
InChI	InChI=1S/C8H9FO3S/c1-12-8-4-3-6(5-7(8)9)13(2,10)11/h3-5H,1-2H3
InChI Key	RJKIPWHQSXCLHA-UHFFFAOYSA-N
MDL Number	MFCD21090339
Molecular Formula	C8H9FO3S
Molecular Weight	204.2187
SMILES	O=S(C1=CC=C(OC)C(F)=C1)(C)=O
Synonyms	2-Fluoro-1-methoxy-4-(methylsulfonyl)benzene, 20951-14-8, 2-Fluoro-4-methanesulfonyl-1-methoxybenzene, Benzene, 2-fluoro-1-methoxy-4-(methylsulfonyl)-, SCHEMBL806536, CTK8E1740, RJKIPWHQSXCLHA-UHFFFAOYSA-N, 5545AJ, MFCD21090339, ZINC79017235, AKOS022184080, AS-8811, FCH1607994, TRA0045297, ACM20951148, CJ-21957, DA-17446, SY018091, AB0059567, AJ-122847, AX8268677, TC-307092, CS-0028241, FT-0745750, 2-fluoro-4-methanesulfonyl-1-methoxy-benzene, MFCD21090339 (95%), K-6052, C8H9FO3S, 188847-00-9,

Complexity	257
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	204.026g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	204.215g/mol
Monoisotopic Mass	204.026g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	51.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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