AG00IL1W

1354962-26-7 | 4-(Chlorosulfonyl)-2-fluorobenzoic acid

AG00IL1W

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CAS Number	1354962-26-7
Catalog Number	AG00IL1W(AGN-PC-0WNH5G)
Chemical Name	4-(Chlorosulfonyl)-2-fluorobenzoic acid
IUPAC Name	4-chlorosulfonyl-2-fluorobenzoic acid
InChI	InChI=1S/C7H4ClFO4S/c8-14(12,13)4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H,10,11)
InChI Key	LBEVLPITHCKEMK-UHFFFAOYSA-N
MDL Number	MFCD20502008
Molecular Formula	C7H4ClFO4S
Molecular Weight	238.6207
SMILES	O=C(O)C1=CC=C(S(=O)(Cl)=O)C=C1F
Synonyms	4-(chlorosulfonyl)-2-fluorobenzoic acid, 1354962-26-7, KS-000008JT, MFCD20502008, ZINC100649102, NE36903, SB21526, AS-53984, CS-0051166, EN300-92220,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	237.95g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	238.613g/mol
Monoisotopic Mass	237.95g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

Lot Number