AG00BEDJ

Name: 3-(4-Acetylphenyl)benzonitrile
Brand: Angene Chemical
SKU: AG00BEDJ

253678-90-9 | 3-(4-Acetylphenyl)benzonitrile

AG00BEDJ

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CAS Number	253678-90-9
Catalog Number	AG00BEDJ(AGN-PC-0L6XDU)
Chemical Name	3-(4-Acetylphenyl)benzonitrile
IUPAC Name	3-(4-acetylphenyl)benzonitrile
InChI	InChI=1S/C15H11NO/c1-11(17)13-5-7-14(8-6-13)15-4-2-3-12(9-15)10-16/h2-9H,1H3
InChI Key	SRWQSYBXUHJWHV-UHFFFAOYSA-N
MDL Number	MFCD06802012
Molecular Formula	C15H11NO
Molecular Weight	221.2539
SMILES	N#CC1=CC=CC(C2C=CC(=CC=2)C(C)=O)=C1
Synonyms	3-(4-acetylphenyl)benzonitrile, 253678-90-9, 4'-Acetyl[1,1'-biphenyl]-3-carbonitrile, 4'-Acetyl-[1,1'-biphenyl]-3-carbonitrile, ACMC-209gje, AC1N57SU, SCHEMBL20647100, CTK8B1308, 4'-Acetylbiphenyl-3-carbonitrile, DTXSID20400583, ZINC6159104, ANW-25704, MFCD06802012, AKOS004117544, AJ-55916, CJ-12946, TC-114449, BB 0223040, I01-11296, CID4190808,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	221.084g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	221.259g/mol
Monoisotopic Mass	221.084g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	40.9A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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