AG00BGYA

Name: 4-Ethylbenzotrifluoride
Brand: Angene Chemical
SKU: AG00BGYA

27190-69-8 | 4-Ethylbenzotrifluoride

AG00BGYA

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CAS Number	27190-69-8
Catalog Number	AG00BGYA(AGN-PC-0LQ1HQ)
Chemical Name	4-Ethylbenzotrifluoride
IUPAC Name	1-ethyl-4-(trifluoromethyl)benzene
InChI	InChI=1S/C9H9F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H3
InChI Key	IHHXYTIKYUHTQU-UHFFFAOYSA-N
MDL Number	MFCD11100540
Molecular Formula	C9H9F3
Molecular Weight	174.1630
SMILES	C1=CC(CC)=CC=C1C(F)(F)F
Synonyms	4-Ethylbenzotrifluoride, 1-ethyl-4-(trifluoromethyl)benzene, 27190-69-8, AC1NT5I4, SCHEMBL91061, CTK8E7567, IHHXYTIKYUHTQU-UHFFFAOYSA-N, 1-(Trifluoromethyl)-4-ethylbenzene, BBL100864, STL554658, ZINC66329355, AKOS005255481, Benzene, 1-ethyl-4-(trifluoromethyl)-, TC-068113, X-4323, 2-[4-(Trifluoromethyl)phenyl]ethylidyne radical, InChI=1/C9H9F3/c1-2-7-3-5-8(6-4-7)9(10,11)12/h3-6H,2H2,1H, CID5324697, 5-N-(Boc)-aminomethyl-3-isopropylisoxazole, 543713-09-3,

Complexity	131
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	174.066g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	174.166g/mol
Monoisotopic Mass	174.066g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	0A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.7

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