AG000S80

Name: 5-(3-Fluoro-4-methylphenyl)nicotinic acid
Brand: Angene Chemical
SKU: AG000S80

1261946-42-2 | 5-(3-Fluoro-4-methylphenyl)nicotinic acid

AG000S80

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CAS Number	1261946-42-2
Catalog Number	AG000S80(AGN-PC-09Q3G2)
Chemical Name	5-(3-Fluoro-4-methylphenyl)nicotinic acid
IUPAC Name	5-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid
InChI	InChI=1S/C13H10FNO2/c1-8-2-3-9(5-12(8)14)10-4-11(13(16)17)7-15-6-10/h2-7H,1H3,(H,16,17)
InChI Key	QTFPKJSSHWDDNP-UHFFFAOYSA-N
MDL Number	MFCD18317023
Molecular Formula	C13H10FNO2
Molecular Weight	231.2224
SMILES	OC(=O)c1cncc(c1)c1ccc(c(c1)F)C
Synonyms	5-(3-FLUORO-4-METHYLPHENYL)NICOTINIC ACID, 1261946-42-2, ACMC-209b6s, CTK8A9787, DTXSID50687188, ANW-18770, MFCD18317023, ZINC65347408, AKOS015999294, AJ-115357, AX8230393, BC3249776, TC-107515, ST24023735, Z9188, B-6933, 5-(3-fluoro-4-methylphenyl)pyridine-3-carboxylic acid, 3-Pyridinecarboxylic acid, 5-(3-fluoro-4-methylphenyl)-, C13H10FNO2, 5-(3-Fluoro-4-methylphenyl)nicotinicacid,

Complexity	285
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.07g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	231.226g/mol
Monoisotopic Mass	231.07g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	50.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.5

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