AG0036WR

63914-81-8 | 2-(Chlorosulfonyl)benzoic acid

AG0036WR

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CAS Number	63914-81-8
Catalog Number	AG0036WR(AGN-PC-001JAE)
Chemical Name	2-(Chlorosulfonyl)benzoic acid
IUPAC Name	2-chlorosulfonylbenzoic acid
InChI	InChI=1S/C7H5ClO4S/c8-13(11,12)6-4-2-1-3-5(6)7(9)10/h1-4H,(H,9,10)
InChI Key	ZRWICZHXYMHBDP-UHFFFAOYSA-N
MDL Number	MFCD06208087
Molecular Formula	C7H5ClO4S
Molecular Weight	220.6302
SMILES	ClS(=O)(=O)C1=C(C(=O)O)C=CC=C1
Synonyms	2-(CHLOROSULFONYL)BENZOIC ACID, 63914-81-8, 2-chlorosulfonylbenzoic acid, PubChem14810, chlorosulfonylbenzoic acid, SCHEMBL135801, 2-chloranylsulfonylbenzoic acid, CTK5C0177, DTXSID50560745, Benzoic acid,2-(chlorosulfonyl)-, ZRWICZHXYMHBDP-UHFFFAOYSA-N, ANW-58173, MFCD06208087, AKOS006223652, ZINC100031241, RP05180, AK-87159, AN-38932, DS-18287, SC-45816, TC-146918, FT-0657858, Y9696, 914C818, A834576, I14-5810, J-506334, C7H5ClO4S, Phytic acid hexazinc salt,

Complexity	292
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	219.96g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	220.623g/mol
Monoisotopic Mass	219.96g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8
Hazard statements	H302-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 3261

Certificate of Analysis

Lot Number