AG003K8B

455-26-5 | 4-(Fluorosulfonyl)benzoic acid

AG003K8B

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CAS Number	455-26-5
Catalog Number	AG003K8B(AGN-PC-0JL86Q)
Chemical Name	4-(Fluorosulfonyl)benzoic acid
EC Number	207-243-3
IUPAC Name	4-fluorosulfonylbenzoic acid
InChI	InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key	DJUJJHDCOUPERR-UHFFFAOYSA-N
MDL Number	MFCD00007420
Molecular Formula	C7H5FO4S
Molecular Weight	204.1756
SMILES	FS(=O)(=O)C1=CC=C(C(=O)O)C=C1
Synonyms	4-(fluorosulfonyl)benzoate, 4-(fluorosulfonyl)benzoic acid, 4-FSB acid, 4-(Fluorosulfonyl)benzoic acid, 455-26-5, 4-fluorosulfonylbenzoic acid, 4-(Fluorosulphonyl)benzoic acid, EINECS 207-243-3, ACMC-20amuk, AC1Q6YMY, p-fluor-osulfonylbenzoic acid, 4-Fluorosulfonyl-benzoic acid, p-(Fluorosulfonyl)benzoic acid, AC1L28T2, CHEMBL101626, SCHEMBL7825255, CTK4I8859, DTXSID00196533, Benzoic acid,4-(fluorosulfonyl)-, DJUJJHDCOUPERR-UHFFFAOYSA-N, Benzoic acid, p-(fluorosulfonyl)-, Benzoic acid, 4-(fluorosulfonyl)-, ZINC43328023, 4-(Fluorosulfonyl)benzoic acid, 95%, AKOS001025676, MCULE-6672028464, VS-0068, DB-051314, TC-169283, FT-0632156, I01-19289, Z56756006, 4- BENZOICACID, C7H5FO4S, C7-H5-F-O4-S, CID67998, AR-1F7002, 489-32-7,

Complexity	284
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	203.989g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	204.171g/mol
Monoisotopic Mass	203.989g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H314
Packing Group	Ⅱ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 3261

Certificate of Analysis

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