AG019NDA

Name: 2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
Brand: Angene Chemical
SKU: AG019NDA

1016746-08-9 | 2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid

AG019NDA

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CAS Number	1016746-08-9
Catalog Number	AG019NDA
Chemical Name	2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid
IUPAC Name	2-[(4-bromophenyl)methylsulfanyl]pyridine-3-carboxylic acid
InChI	InChI=1S/C13H10BrNO2S/c14-10-5-3-9(4-6-10)8-18-12-11(13(16)17)2-1-7-15-12/h1-7H,8H2,(H,16,17)
InChI Key	CXLHGQGBIGZCPK-UHFFFAOYSA-N
MDL Number	MFCD09813157
Molecular Formula	C13H10BrNO2S
Molecular Weight	324.1930
SMILES	OC(C1=C(SCC2=CC=C(Br)C=C2)N=CC=C1)=O
Synonyms	2-{[(4-bromophenyl)methyl]sulfanyl}pyridine-3-carboxylic acid, 1016746-08-9, 2-[(4-bromobenzyl)thio]nicotinic acid, AC1Q72M9, CTK5I7454, ZINC13188370, AKOS000155974, MCULE-2287285620, NE14504, EN300-40082, Z55950276, 2-([(4-bromophenyl)methyl]sulfanyl)pyridine-3-carboxylic acid,

Complexity	282
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	322.962g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	324.192g/mol
Monoisotopic Mass	322.962g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	75.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.4

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