AG019TX4

Name: 4-[(2-cyanophenyl)sulfanyl]benzoic acid
Brand: Angene Chemical
SKU: AG019TX4

1021236-88-3 | 4-[(2-cyanophenyl)sulfanyl]benzoic acid

AG019TX4

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CAS Number	1021236-88-3
Catalog Number	AG019TX4
Chemical Name	4-[(2-cyanophenyl)sulfanyl]benzoic acid
IUPAC Name	4-(2-cyanophenyl)sulfanylbenzoic acid
InChI	InChI=1S/C14H9NO2S/c15-9-11-3-1-2-4-13(11)18-12-7-5-10(6-8-12)14(16)17/h1-8H,(H,16,17)
InChI Key	KXOKZLLQIKJLJD-UHFFFAOYSA-N
MDL Number	MFCD11528954
Molecular Formula	C14H9NO2S
Molecular Weight	255.2918
SMILES	OC(C1=CC=C(SC2=C(C#N)C=CC=C2)C=C1)=O
Synonyms	4-[(2-cyanophenyl)sulfanyl]benzoic acid, 1021236-88-3, ZINC20075539, AKOS000261479, MCULE-3057392883, NE26666, SEL10076092, EN300-99550, Z1335657655,

Complexity	341
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.035g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.291g/mol
Monoisotopic Mass	255.035g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	86.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

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