AG01A01Q

Name: 3-Acetamido-5-(trifluoromethyl)benzoic acid
Brand: Angene Chemical
SKU: AG01A01Q

500590-51-2 | 3-Acetamido-5-(trifluoromethyl)benzoic acid

AG01A01Q

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CAS Number	500590-51-2
Catalog Number	AG01A01Q(AGN-PC-0JP92X)
Chemical Name	3-Acetamido-5-(trifluoromethyl)benzoic acid
IUPAC Name	3-acetamido-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C10H8F3NO3/c1-5(15)14-8-3-6(9(16)17)2-7(4-8)10(11,12)13/h2-4H,1H3,(H,14,15)(H,16,17)
InChI Key	UEGUKMUUDSGPDJ-UHFFFAOYSA-N
MDL Number	MFCD13475561
Molecular Formula	C10H8F3NO3
Molecular Weight	247.1706
NSC Number	146029
SMILES	C(C)(=O)NC=1C=C(C(=O)O)C=C(C1)C(F)(F)F
Synonyms	3-acetamido-5-(trifluoromethyl)benzoic acid, 500590-51-2, NSC146029, AC1L663U, SCHEMBL3529269, CTK6A0646, UEGUKMUUDSGPDJ-UHFFFAOYSA-N, ZINC1728533, AKOS010484907, MCULE-9536433826, NE33467, NSC-146029, RP28771, 3-acetylamino-5-(trifluoromethyl)-benzoic acid, 3-(acetylamino)-5-(trifluoromethyl)benzoic acid, Z1431002699, CID286848,

Complexity	316
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.046g/mol
Formal Charge	0
Heavy Atom Count	17
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
Isotope Atom Count	0
Molecular Weight	247.173g/mol
Monoisotopic Mass	247.046g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	66.4A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

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