AG003YUW

Name: 3-[3-(Trifluoromethyl)phenyl]benzonitrile
Brand: Angene Chemical
SKU: AG003YUW

893734-87-7 | 3-[3-(Trifluoromethyl)phenyl]benzonitrile

AG003YUW

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CAS Number	893734-87-7
Catalog Number	AG003YUW(AGN-PC-0WRA9D)
Chemical Name	3-[3-(Trifluoromethyl)phenyl]benzonitrile
IUPAC Name	3-[3-(trifluoromethyl)phenyl]benzonitrile
InChI	InChI=1S/C14H8F3N/c15-14(16,17)13-6-2-5-12(8-13)11-4-1-3-10(7-11)9-18/h1-8H
InChI Key	MSTIXQZVGRDESK-UHFFFAOYSA-N
MDL Number	MFCD05980398
Molecular Formula	C14H8F3N
Molecular Weight	247.2152
SMILES	C(F)(F)(C1C=CC=C(C2C=CC=C(C=2)C#N)C=1)F
Synonyms	3-[3-(trifluoromethyl)phenyl]benzonitrile, 893734-87-7, 3'-(Trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile, 3'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carbonitrile, AC1LRCQA, ACMC-209r02, SCHEMBL3836507, CTK8B2608, DTXSID60362656, ZINC1257761, ANW-39264, MFCD05980398, AKOS004117429, TC-128009, 3'-(Trifluoromethyl)biphenyl-3-carbonitrile, BB 0223030, V8796, B-8542, C14H8F3N, CID1393006,

Complexity	328
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.061g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	247.22g/mol
Monoisotopic Mass	247.061g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.2

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