AG00DIPD

Name: 4-chloro-3-methylsulfonyl-benzoic acid
Brand: Angene Chemical
SKU: AG00DIPD

51522-07-7 | 4-chloro-3-methylsulfonyl-benzoic acid

AG00DIPD

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CAS Number	51522-07-7
Catalog Number	AG00DIPD(AGN-PC-0JNH06)
Chemical Name	4-chloro-3-methylsulfonyl-benzoic acid
IUPAC Name	4-chloro-3-methylsulfonylbenzoic acid
InChI	InChI=1S/C8H7ClO4S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)
InChI Key	ZWBQTUAUWSDCKX-UHFFFAOYSA-N
MDL Number	MFCD06342742
Molecular Formula	C8H7ClO4S
Molecular Weight	234.6568
SMILES	O=C(O)C1=CC=C(Cl)C(S(=O)(C)=O)=C1
Synonyms	51522-07-7, 4-chloro-3-(methylsulfonyl)benzoic acid, 4-chloro-3-methylsulfonylbenzoic acid, 4-Chloro-3-methanesulfonylbenzoic acid, 4-chloro-3-methylsulfonyl-benzoic Acid, AC1L4BFE, Benzoic acid, 4-chloro-3-(methylsulfonyl)-, AC1Q4GG5, SCHEMBL1495405, CTK4J4404, ZWBQTUAUWSDCKX-UHFFFAOYSA-N, ZINC2619062, MFCD06342742, 3-methylsulfonyl-4-chlorobenzoic acid, 3-methylsulphonyl-4-chlorobenzoic acid, AKOS000117520, MCULE-9124758147, NE49733, 3-[Methylsulfonyl]-4-chlorobenzoic acid, AS-11447, DA-05301, FT-0767931, EN300-10180, 4-CHLORO-3-(METHYLSULFONYL)BENZOICACID, SR-01000054967, SR-01000054967-1, Z57000485, C8H7ClO4S, CID182670, 4-chloro-3-methylsulfonyl-benzoicacid,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	233.975g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	234.65g/mol
Monoisotopic Mass	233.975g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	79.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.3

CERTIFICATE OF ANALYSIS

Analysis Data:

Test:

Result:

Conclusion: The above product meets the specifications of Angene.

Analyst:Chase

Date:

Reviewed by:Jessie

Date:

Angene International Limited