AG000S36

Name: Benzoic acid, 4-iodo-3-(trifluoromethyl)-, methyl ester
Brand: Angene Chemical
SKU: AG000S36

1261880-87-8 | Benzoic acid, 4-iodo-3-(trifluoromethyl)-, methyl ester

AG000S36

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CAS Number	1261880-87-8
Catalog Number	AG000S36(AGN-PC-0WCN28)
Chemical Name	Benzoic acid, 4-iodo-3-(trifluoromethyl)-, methyl ester
IUPAC Name	methyl 4-iodo-3-(trifluoromethyl)benzoate
InChI	InChI=1S/C9H6F3IO2/c1-15-8(14)5-2-3-7(13)6(4-5)9(10,11)12/h2-4H,1H3
InChI Key	QUHBVHFIZYIFAP-UHFFFAOYSA-N
MDL Number	MFCD18399517
Molecular Formula	C9H6F3IO2
Molecular Weight	330.0424
SMILES	IC1=C(C=C(C(=O)OC)C=C1)C(F)(F)F
Synonyms	methyl 4-iodo-3-(trifluoromethyl)benzoate, 1261880-87-8, 4-Iodo-3-trifluoromethyl-benzoic acid methyl ester, SCHEMBL17672851, MFCD18399517, ZINC98210821, PC500693, PS-11302, Benzoic acid, 4-iodo-3-(trifluoromethyl)-, methyl ester,

Complexity	242
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	329.936g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	330.045g/mol
Monoisotopic Mass	329.936g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.3

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