AG019KO4

Name: methyl 3-[2-(3-aminophenyl)ethynyl]benzoate
Brand: Angene Chemical
SKU: AG019KO4

930396-02-4 | methyl 3-[2-(3-aminophenyl)ethynyl]benzoate

AG019KO4

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CAS Number	930396-02-4
Catalog Number	AG019KO4
Chemical Name	methyl 3-[2-(3-aminophenyl)ethynyl]benzoate
IUPAC Name	methyl 3-[2-(3-aminophenyl)ethynyl]benzoate
InChI	InChI=1S/C16H13NO2/c1-19-16(18)14-6-2-4-12(10-14)8-9-13-5-3-7-15(17)11-13/h2-7,10-11H,17H2,1H3
InChI Key	QMYBRFSACGHKPH-UHFFFAOYSA-N
MDL Number	MFCD09388769
Molecular Formula	C16H13NO2
Molecular Weight	251.2799
SMILES	COC(C1=CC(C#CC2=CC(N)=CC=C2)=CC=C1)=O
Synonyms	methyl 3-[2-(3-aminophenyl)ethynyl]benzoate, methyl 3-[(3-aminophenyl)ethynyl]benzoate, 930396-02-4, AC1Q42YF, CTK6J0439, ZINC12505619, AKOS000118005, MCULE-9965908847, NE17656, EN300-27699, Z235346945,

Complexity	379
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	251.095g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	251.285g/mol
Monoisotopic Mass	251.095g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	52.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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