AG01B53C

Name: 1-[4-(Trifluoromethyl)phenyl]butan-2-one
Brand: Angene Chemical
SKU: AG01B53C

1248106-81-1 | 1-[4-(Trifluoromethyl)phenyl]butan-2-one

AG01B53C

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CAS Number	1248106-81-1
Catalog Number	AG01B53C
Chemical Name	1-[4-(Trifluoromethyl)phenyl]butan-2-one
IUPAC Name	1-[4-(trifluoromethyl)phenyl]butan-2-one
InChI	InChI=1S/C11H11F3O/c1-2-10(15)7-8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3
InChI Key	CIHXVWXJECTSLZ-UHFFFAOYSA-N
MDL Number	MFCD16807725
Molecular Formula	C11H11F3O
Molecular Weight	216.1996
SMILES	CCC(CC1=CC=C(C(F)(F)F)C=C1)=O
Synonyms	1-[4-(trifluoromethyl)phenyl]butan-2-one, 1248106-81-1, SCHEMBL4657783, ZINC50518432, AKOS011394852, 1-[4-(trifluoromethyl)phenyl]-2-butanone,

Complexity	214
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	216.076g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	216.203g/mol
Monoisotopic Mass	216.076g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	17.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.9

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