AG00G4K4

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CAS Number	80531-13-1
Catalog Number	AG00G4K4(AGN-PC-00TXC8)
Chemical Name	1-Benzyl-1H-indole-5-carbonitrile
IUPAC Name	1-benzylindole-5-carbonitrile
InChI	InChI=1S/C16H12N2/c17-11-14-6-7-16-15(10-14)8-9-18(16)12-13-4-2-1-3-5-13/h1-10H,12H2
InChI Key	XZCSETGZSGBGCI-UHFFFAOYSA-N
MDL Number	MFCD15200964
Molecular Formula	C16H12N2
Molecular Weight	232.2799
SMILES	C(C1=CC=CC=C1)N1C=CC2=CC(=CC=C12)C#N
Synonyms	1-BENZYL-1H-INDOLE-5-CARBONITRILE, 80531-13-1, 1-benzylindole-5-carbonitrile, SCHEMBL1247611, DTXSID10583016, XZCSETGZSGBGCI-UHFFFAOYSA-N, ALBB-014158, ZX-AN012896, ZX-CM009155, 9972AE, MFCD15200964, ZINC20523011, AKOS005174368, FCH4953648, AJ-77850, BBV-57942394, DA-41321, FT-0683830, 1H-indole-5-carbonitrile, 1-(phenylmethyl)-, Y-7587, I10-1170, C16H12N2,

Complexity	323
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	232.1g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	232.286g/mol
Monoisotopic Mass	232.1g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	28.7A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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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