AG00IBJW

Name: Benzoic acid, 3-fluoro-5-methyl-, methyl ester
Brand: Angene Chemical
SKU: AG00IBJW

660416-38-6 | Benzoic acid, 3-fluoro-5-methyl-, methyl ester

AG00IBJW

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CAS Number	660416-38-6
Catalog Number	AG00IBJW(AGN-PC-072IGR)
Chemical Name	Benzoic acid, 3-fluoro-5-methyl-, methyl ester
IUPAC Name	methyl 3-fluoro-5-methylbenzoate
InChI	InChI=1S/C9H9FO2/c1-6-3-7(9(11)12-2)5-8(10)4-6/h3-5H,1-2H3
InChI Key	DBJVSFWNQPRBGK-UHFFFAOYSA-N
MDL Number	MFCD06204167
Molecular Formula	C9H9FO2
Molecular Weight	168.1650
SMILES	FC=1C=C(C(=O)OC)C=C(C1)C
Synonyms	methyl 3-fluoro-5-methylbenzoate, 660416-38-6, Benzoic acid, 3-fluoro-5-methyl-, methyl ester, SCHEMBL1544913, DBJVSFWNQPRBGK-UHFFFAOYSA-N, MFCD06204167, ZINC44200120, AKOS006295764, MCULE-8894985422, NE13107, AS-43938, 3-Methyl-5-fluorobenzoic acid methyl ester, 3-fluoro-5-methyl-benzoic acid methyl ester, TL80090303, Z1291186550, Methyl3-fluoro-5-methylbenzoate,

Complexity	170
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	168.059g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	168.167g/mol
Monoisotopic Mass	168.059g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

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