AG01DWLH

Name: 2-(3-(Trifluoromethyl)phenyl)propanoic acid
Brand: Angene Chemical
SKU: AG01DWLH

68718-08-1 | 2-(3-(Trifluoromethyl)phenyl)propanoic acid

AG01DWLH

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CAS Number	68718-08-1
Catalog Number	AG01DWLH
Chemical Name	2-(3-(Trifluoromethyl)phenyl)propanoic acid
IUPAC Name	2-[3-(trifluoromethyl)phenyl]propanoic acid
InChI	InChI=1S/C10H9F3O2/c1-6(9(14)15)7-3-2-4-8(5-7)10(11,12)13/h2-6H,1H3,(H,14,15)
InChI Key	JUQMRSYCLKEWAV-UHFFFAOYSA-N
MDL Number	MFCD11036891
Molecular Formula	C10H9F3O2
Molecular Weight	218.1725
SMILES	FC(C=1C=C(C=CC1)C(C(=O)O)C)(F)F
Synonyms	68718-08-1, 2-(3-(Trifluoromethyl)phenyl)propanoic acid, 2-[3-(trifluoromethyl)phenyl]propanoic acid, SCHEMBL1760202, TIMTEC-BB SBB017793, OTAVA-BB 1310640, AKOS010488844, AS02203, J3.650.867A, 3-(TRIFLUOROMETHYL)PHENYLPROPIONIC ACID, Benzeneacetic acid,alpha-methyl-3-(trifluoromethyl)-, Benzeneacetic acid, alpha-methyl-3-(trifluoromethyl)-, RARECHEM AL BO 1070, 3-(3'-Trifluoromethylphenyl)-propionic acid, 3-(TRIFLUOROMETHYL)HYDROCINNAMIC ACID, 3-[3-(trifluoromethyl)phenyl]propanoic Acid, 3-TRIFLUOROMETHYLBENZENEPROPANOIC ACID, 3-(3-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID, 585-50-2,

Complexity	237
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	218.055g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	218.175g/mol
Monoisotopic Mass	218.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	2.8

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