AG01EINJ

Name: methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate
Brand: Angene Chemical
SKU: AG01EINJ

350488-53-8 | methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate

AG01EINJ

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CAS Number	350488-53-8
Catalog Number	AG01EINJ
Chemical Name	methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate
IUPAC Name	methyl 3-pyrrol-1-yl-5-(trifluoromethyl)benzoate
InChI	InChI=1S/C13H10F3NO2/c1-19-12(18)9-6-10(13(14,15)16)8-11(7-9)17-4-2-3-5-17/h2-8H,1H3
InChI Key	CVXNVUSJBDYGDR-UHFFFAOYSA-N
MDL Number	MFCD31559258
Molecular Formula	C13H10F3NO2
Molecular Weight	269.2192
SMILES	COC(C1=CC(C(F)(F)F)=CC(N2C=CC=C2)=C1)=O
Synonyms	methyl 3-(1H-pyrrol-1-yl)-5-(trifluoromethyl)benzoate, 350488-53-8,

Complexity	326
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	269.066g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	269.223g/mol
Monoisotopic Mass	269.066g/mol
Rotatable Bond Count	3
Topological Polar Surface Area	31.2A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.1

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