AG00EK9P

Name: 2-[2,8-Bis(trifluoromethyl)-4-quinolyl]oxirane
Brand: Angene Chemical
SKU: AG00EK9P

57120-54-4 | 2-[2,8-Bis(trifluoromethyl)-4-quinolyl]oxirane

AG00EK9P

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CAS Number	57120-54-4
Catalog Number	AG00EK9P
Chemical Name	2-[2,8-Bis(trifluoromethyl)-4-quinolyl]oxirane
IUPAC Name	4-(oxiran-2-yl)-2,8-bis(trifluoromethyl)quinoline
InChI	InChI=1S/C13H7F6NO/c14-12(15,16)8-3-1-2-6-7(9-5-21-9)4-10(13(17,18)19)20-11(6)8/h1-4,9H,5H2
InChI Key	ZRNRGGNAVKYDQA-UHFFFAOYSA-N
MDL Number	MFCD09260425
Molecular Formula	C13H7F6NO
Molecular Weight	307.1912
SMILES	FC(c1cc(C2CO2)c2c(n1)c(ccc2)C(F)(F)F)(F)F
Synonyms	2-[2,8-Bis(trifluoromethyl)-4-quinolyl]oxirane, 57120-54-4, 4-(OXIRAN-2-YL)-2,8-BIS(TRIFLUOROMETHYL)QUINOLINE, SCHEMBL2790251, SCHEMBL11928627, CTK8F3942, DTXSID30482618, ZRNRGGNAVKYDQA-UHFFFAOYSA-N, QU200, MFCD09260425, AKOS027254676, AB49935, PC404553, 4-Oxiranyl-2,8-bis-trifluoromethylquinoline, T6574, 4-Oxiranyl-2,8-bis-trifluoromethyl-quinoline, (2,8-bis(trifluoromethyl)-4-quinolinyl)oxirane, 2-[2,8-BIS -4-QUINOLYL]OXIRANE,

Complexity	395
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	307.043g/mol
Formal Charge	0
Heavy Atom Count	21
Hydrogen Bond Acceptor Count	8
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	307.195g/mol
Monoisotopic Mass	307.043g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	25.4A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	3.5

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