AG01EKIE

Name: 3-(1H-Pyrrol-1-YL)-5-(trifluoromethyl)benzoic acid
Brand: Angene Chemical
SKU: AG01EKIE

276861-97-3 | 3-(1H-Pyrrol-1-YL)-5-(trifluoromethyl)benzoic acid

AG01EKIE

SDS

COA

TIP This product is typically in stock.Please contact us for quotation.

Request For Quotation

CAS Number	276861-97-3
Catalog Number	AG01EKIE
Chemical Name	3-(1H-Pyrrol-1-YL)-5-(trifluoromethyl)benzoic acid
IUPAC Name	3-pyrrol-1-yl-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C12H8F3NO2/c13-12(14,15)9-5-8(11(17)18)6-10(7-9)16-3-1-2-4-16/h1-7H,(H,17,18)
InChI Key	JSZZBOWCXZQSMO-UHFFFAOYSA-N
MDL Number	MFCD13497749
Molecular Formula	C12H8F3NO2
Molecular Weight	255.1926
SMILES	OC(C1=CC(C(F)(F)F)=CC(N2C=CC=C2)=C1)=O
Synonyms	SCHEMBL5375570, JSZZBOWCXZQSMO-UHFFFAOYSA-N, AKOS010485114, 3-(pyrrol-1-yl)-5-(trifluoromethyl)-benzoic acid, 3-(1H-PYRROL-1-YL)-5-(TRIFLUOROMETHYL)BENZOIC ACID, 276861-97-3,

Complexity	313
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	255.051g/mol
Formal Charge	0
Heavy Atom Count	18
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	255.196g/mol
Monoisotopic Mass	255.051g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	42.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

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