AG00ICE8

Name: 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
Brand: Angene Chemical
SKU: AG00ICE8

733790-56-2 | 3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid

AG00ICE8

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CAS Number	733790-56-2
Catalog Number	AG00ICE8
Chemical Name	3-{[(4-Chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid
IUPAC Name	3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid
InChI	InChI=1S/C16H11ClO3S/c17-10-5-7-11(8-6-10)21-9-13-12-3-1-2-4-14(12)20-15(13)16(18)19/h1-8H,9H2,(H,18,19)
InChI Key	NQQYYBKMORLLBA-UHFFFAOYSA-N
MDL Number	MFCD03986075
Molecular Formula	C16H11ClO3S
Molecular Weight	318.7747
SMILES	OC(C1=C(CSC2=CC=C(Cl)C=C2)C2=C(C=CC=C2)O1)=O
Synonyms	733790-56-2, 3-{[(4-chlorophenyl)sulfanyl]methyl}-1-benzofuran-2-carboxylic acid, 3-(4-Chloro-phenylsulfanylmethyl)-benzofuran-2-carboxylic acid, MLS001176081, CHEMBL1444564, CTK6H0993, HMS2911C23, ZINC3361078, AKOS008966953, MCULE-4039567389, NE27807, SMR000590558, EN300-06292, Z56917419, AC1M82DM, AC1Q72AF, CID2478639, 3-[(4-chlorophenyl)sulfanylmethyl]benzofuran-2-carboxylic Acid, 3-[(4-chlorophenyl)sulfanylmethyl]-1-benzofuran-2-carboxylic acid,

Complexity	371
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	318.011743g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	318.8g/mol
Monoisotopic Mass	318.011743g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.7Å²
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.8

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