AG009CF9

Name: TUG-770
Brand: Angene Chemical
SKU: AG009CF9

1402601-82-4 | TUG-770

AG009CF9

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CAS Number	1402601-82-4
Catalog Number	AG009CF9(AGN-PC-0WCRFL)
Chemical Name	TUG-770
IUPAC Name	3-[4-[2-[2-(cyanomethyl)phenyl]ethynyl]-2-fluorophenyl]propanoic acid
InChI	InChI=1S/C19H14FNO2/c20-18-13-14(6-8-17(18)9-10-19(22)23)5-7-15-3-1-2-4-16(15)11-12-21/h1-4,6,8,13H,9-11H2,(H,22,23)
InChI Key	KIZUBVPJNPVIIN-UHFFFAOYSA-N
MDL Number	MFCD26142679
Molecular Formula	C19H14FNO2
Molecular Weight	307.3184
SMILES	OC(CCC1=C(F)C=C(C#CC2=C(CC#N)C=CC=C2)C=C1)=O
Synonyms	TUG-770, 1402601-82-4, 3-(4-((2-(cyanomethyl)phenyl)ethynyl)-2-fluorophenyl)propanoic acid, CHEMBL2386353, TUG770, 3-(4-{[2-(Cyanomethyl)phenyl]ethynyl}-2-fluorophenyl)propanoic acid, GTPL6483, SCHEMBL12983515, DTXSID90735197, TUG 770, BCP07966, BDBM50434295, ZINC95930190, AKOS030235391, CS-1524, QC-4555, 4CA-1291, BC600433, DA-45349, HY-15697, AB0095804, FT-0722551, A12994, W-6124, 3-(4-{2-[2-(cyanomethyl)phenyl]ethynyl}-2-fluorophenyl)propanoic acid, D0S0QY, KIZUBVPJNPVIIN-UHFFFAOYSA-N, A3895, 4-[2-[2-(Cyanomethyl)phenyl]ethynyl]-2-fluorobenzenepropanoic acid,

Complexity	523
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.101g/mol
Formal Charge	0
Heavy Atom Count	23
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	307.324g/mol
Monoisotopic Mass	307.101g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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